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Author |
Long, Y.; Wang, X.; Zhang, H.; Wang, K.; Ong, W.-L.; Bogaerts, A.; Li, K.; Lu, C.; Li, X.; Yan, J.; Tu, X.; Zhang, H. |
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Title |
Plasma chemical looping : unlocking high-efficiency CO₂ conversion to clean CO at mild temperatures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
JACS Au |
Abbreviated Journal |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs. |
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Wos |
001225139200001 |
Publication Date |
2024-05-08 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:205970 |
Serial |
9166 |
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Permanent link to this record |
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Author |
Duan, Z.L.; Chen, Z.Y.; Zhang, J.T.; Feng, X.L.; Xu, Z.Z. |
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Title |
Scheme for the generation of entangled atomic state in cavity QED |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
European physical journal : D : atomic, molecular and optical physics |
Abbreviated Journal |
Eur Phys J D |
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Volume |
30 |
Issue |
2 |
Pages |
275-278 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We propose a scheme to generate the entangled state of two Lambda-type three-level atoms trapped in a cavity. The atoms are initially prepared in their excited state and the cavity in vacuum state. Each atom has two possibilities to deexcite to one of the ground states. If two different polarized photons are detected subsequently, it is sure that both atoms are in different ground states. But which atom is in which ground state cannot be determined, the atoms are thus prepared in a superposition of two ground states, i.e., an entangled state. In comparison with the proposal of Hong and Lee [Phys. Rev. Lett. 89, 237901 (2002)], the requirement of a single polarized photon source can be avoided in our scheme. |
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Place of Publication |
Berlin |
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Wos |
000223019400013 |
Publication Date |
2004-07-05 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1434-6060;1434-6079; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.288 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.288; 2004 IF: 1.692 |
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Call Number |
UA @ lucian @ c:irua:94796 |
Serial |
2954 |
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Permanent link to this record |
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Author |
Magnus, W.; Nelissen, K. |
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Title |
Quantum diffusion: A simple, exactly solvable model |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
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Volume |
417 |
Issue |
417 |
Pages |
96-101 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved. |
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Place of Publication |
Amsterdam |
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Wos |
000345721800011 |
Publication Date |
2014-09-28 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0378-4371; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.243 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.243; 2015 IF: 1.732 |
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Call Number |
c:irua:122170 |
Serial |
2777 |
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Permanent link to this record |
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Author |
Villegas, C.E.P.; Tavares, M.R.S.; Hai, G.-Q.; Peeters, F.M. |
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Title |
Sorting the modes contributing to guidance in strain-induced graphene waveguides |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
15 |
Issue |
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Pages |
023015-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a simple way of probing the number of modes contributing to the channeling in graphene waveguides which are formed by a gauge potential produced by mechanical strain. The energy mode structure for both homogeneous and non-homogeneous strain regimes is carefully studied using the continuum description of the Dirac equation. We found that high strain values privilege negative (instead of positive) group velocities throughout the guidance, sorting the types of modes flowing through it. We also show how the effect of a substrate-induced gap competes against the strain. |
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Place of Publication |
Bristol |
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Wos |
000314868000002 |
Publication Date |
2013-02-08 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by FAPESP, CNPq and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.786; 2013 IF: 3.671 |
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Call Number |
UA @ lucian @ c:irua:107667 |
Serial |
3056 |
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Permanent link to this record |
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Author |
Rezaei, M.; Sisakht, E.T.; Fazileh, F.; Aslani, Z.; Peeters, F.M. |
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Title |
Tight-binding model investigation of the biaxial strain induced topological phase transition in GeCH3 |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
8 |
Pages |
085441 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a tight-binding (TB) model, that includes spin-orbit coupling (SOC), to describe the electronic properties of methyl-substituted germanane (GeCH3). This model gives an electronic spectrum in agreement with first principle results close to the Fermi level. Using the Z(2) formalism, we show that a topological phase transition from a normal insulator (NI) to a quantum spin Hall (QSH) phase occurs at 11.6% biaxial tensile strain. The sensitivity of the electronic properties of this system on strain, in particular its transition to the topological insulating phase, makes it very attractive for applications in strain sensors and other microelectronic applications. |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
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Language |
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Wos |
000408570800004 |
Publication Date |
2017-08-29 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145697 |
Serial |
4755 |
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Permanent link to this record |
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Author |
Grujić, M.M.; Ezawa, M.; Tadic, M.Z.; Peeters, F.M. |
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Title |
Tunable skewed edges in puckered structures |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
93 |
Issue |
93 |
Pages |
245413 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a type of edges arising due to the anisotropy inherent in the puckered structure of a honeycomb system such as in phosphorene. Skewed-zigzag and skewed-armchair nanoribbons are semiconducting and metallic, respectively, in contrast to their normal edge counterparts. Their band structures are tunable, and a metal-insulator transition is induced by an electric field. We predict a field-effect transistor based on the edge states in skewed-armchair nanoribbons, where the edge state is gapped by applying arbitrary small electric field E-z. A topological argument is presented, revealing the condition for the emergence of such edge states. |
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Place of Publication |
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Wos |
000377802700010 |
Publication Date |
2016-06-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
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Notes |
; This work was supported by the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). M.E. is thankful for the support by the Grants-in-Aid for Scientific Research from MEXT KAKENHI (Grants No. 25400317 and No. 15H05854). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:134599 |
Serial |
4268 |
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Permanent link to this record |
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Author |
Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D. |
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Title |
A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
59 |
Issue |
15 |
Pages |
6124-6132 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1. |
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Corporate Author |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000294086900026 |
Publication Date |
2011-07-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-6454; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.301; 2011 IF: 3.755 |
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Call Number |
UA @ lucian @ c:irua:92388 |
Serial |
3911 |
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Permanent link to this record |
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Author |
Degani, M.H.; Farias, G.A.; Peeters, F.M. |
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Title |
Bound states and lifetime of an electron on a bulk helium surface |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
72 |
Issue |
12 |
Pages |
125408-125408,7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose an effective potential for an excess electron near the helium liquid-vapor interface that takes into account the diffuseness of the liquid-vapor interface and the classical image potential. The splitting of the first two excited states of the excess electron bound to the helium liquid-vapor interface as a function of an external constant electric field applied perpendicular to the interface is in excellent agreement with recent experiments. The effect of a parallel magnetic field on the energy levels are calculated. Single-electron tunneling of the electron out of its surface state is studied as a function of the electric field applied to the system. We found that the tunneling time has a linear dependence on the electric field. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000232229400125 |
Publication Date |
2005-09-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
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Call Number |
UA @ lucian @ c:irua:94719 |
Serial |
251 |
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Permanent link to this record |
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Author |
Croitoru, M.D.; van Dyck, D.; Van Aert, S.; Bals, S.; Verbeeck, J. |
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Title |
An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
106 |
Issue |
10 |
Pages |
933-940 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab |
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Abstract |
We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000240397200006 |
Publication Date |
2006-05-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
18 |
Open Access |
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Notes |
Fwo; Fwo-V |
Approved |
Most recent IF: 2.843; 2006 IF: 1.706 |
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Call Number |
UA @ lucian @ c:irua:87604UA @ admin @ c:irua:87604 |
Serial |
876 |
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Permanent link to this record |
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Author |
Scuracchio, P.; Dobry, A.; Costamagna, S.; Peeters, F.M. |
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Title |
Tuning the polarized quantum phonon transmission in graphene nanoribbons |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
26 |
Issue |
26 |
Pages |
305401 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We propose systems that allow a tuning of the phonon transmission function T(omega) in graphene nanoribbons by using C-13 isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an interatomic fifth-nearest neighbor force-constant model (5NNFCM) and T(omega) is calculated using the non-equilibrium Green's function formalism. We show that by imposing partial fixed boundary conditions it is possible to restrict contributions of the in-plane phonon modes to T(omega) at low energy. On the contrary, the transmission functions of out-of-plane phonon modes can be diminished by proper antidot or isotope arrangements. In particular, we show that a periodic array of them leads to sharp dips in the transmission function at certain frequencies omega(nu) which can be pre-defined as desired by controlling their relative distance and size. With this, we demonstrated that by adequate engineering it is possible to govern the magnitude of the ballistic transmission functions T(omega) in graphene nanoribbons. We discuss the implications of these results in the design of controlled thermal transport at the nanoscale as well as in the enhancement of thermo-electric features of graphene-based materials. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000358675900010 |
Publication Date |
2015-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0957-4484;1361-6528; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.44 |
Times cited |
5 |
Open Access |
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Notes |
; Discussions with C E Repetto, C R Stia and K H Michel are gratefully acknowledged. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and PIP 11220090100392 of CONICET (Argentina). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ; |
Approved |
Most recent IF: 3.44; 2015 IF: 3.821 |
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Call Number |
c:irua:127186 |
Serial |
3759 |
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Permanent link to this record |
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Author |
Nishio, K.; Lu, A.K.A.; Pourtois, G. |
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Title |
Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
91 |
Issue |
91 |
Pages |
165303 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We propose that low-strain Si/O superlattices can be constructed by connecting reconstructed Si{001} surfaces by Si-O-Si bridges. Ab initio calculations show that our models are energetically more favorable than all the models proposed so far. The part of our Si/O superlattice model is experimentally accessible just by oxidizing a Si( 001) substrate. To complete our Si/O superlattice model, we propose a three-step method. We also explore the potential of our Si/O superlattice models for new materials used in future Si electronics. We find that the location of the channel where the carriers travel can be controlled between the interfaces and the Si layers by the insertion of O atoms into the Si-Si dimers. By revealing the origins of the interface electron and hole states, we find that similar interface states should be easily achieved for Si slabs and Si substrates. Interestingly, the interface electrons and holes have small effective masses in the direction parallel to the channel and large effective masses in the direction normal to the channel, which makes the Si/O superlattices attractive to be used for channel materials. We also find that the valley splitting of Si is enhanced by the formation of the Si/O/Si interfaces, which is ideal for developing Si-based qubits. Our findings open new perspectives to design and control the electronic properties of Si. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000352986700002 |
Publication Date |
2015-04-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:125998 |
Serial |
1852 |
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Permanent link to this record |
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Author |
Verbruggen, S.W.; Keulemans, M.; Goris, B.; Blommaerts, N.; Bals, S.; Martens, J.A.; Lenaerts, S. |
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Title |
Plasmonic ‘rainbow’ photocatalyst with broadband solar light response for environmental applications |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
188 |
Issue |
188 |
Pages |
147-153 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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|
Abstract |
We propose the concept of a ‘rainbow’ photocatalyst that consists of TiO2 modified with gold-silver alloy nanoparticles of various sizes and compositions, resulting in a broad plasmon absorption band that covers the entire UV–vis range of the solar spectrum. It is demonstrated that this plasmonic ‘rainbow’ photocatalyst is 16% more effective than TiO2 P25 under both simulated and real solar light for pollutant degradation at the solid-gas interface. With this we provide a promising strategy to maximize the spectral response for solar to chemical energy conversion. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000372677500016 |
Publication Date |
2016-02-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
47 |
Open Access |
OpenAccess |
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Notes |
S.W.V. and B.G. acknowledge the Research Foundation—Flanders (FWO) for a postdoctoral fellowship. M.K. acknowledges IWT for the doctoral scholarship. S.B. acknowledges the European Research Council (ERC) for financial support through the ERC grant agreement no. 335078-COLOURATOM. J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446 |
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Call Number |
c:irua:130995 |
Serial |
4061 |
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Permanent link to this record |
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Author |
Zarenia, M.; Perali, A.; Neilson, D.; Peeters, F.M. |
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Title |
Enhancement of electron-hole superfluidity in double few-layer graphene |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
|
Volume |
4 |
Issue |
4 |
Pages |
7319 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We propose two coupled electron-hole sheets of few-layer graphene as a new nanostructure to observe superfluidity at enhanced densities and enhanced transition temperatures. For ABC stacked few-layer graphene we show that the strongly correlated electron-hole pairing regime is readily accessible experimentally using current technologies. We find for double trilayer and quadlayer graphene sheets spatially separated by a nano-thick hexagonal boron-nitride insulating barrier, that the transition temperature for electron-hole superfluidity can approach temperatures of 40 K. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000346272900001 |
Publication Date |
2014-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
38 |
Open Access |
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Notes |
; We thank L. Benfatto, S. De Palo, and G. Senatore for helpful comments. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (POLATOM). ; |
Approved |
Most recent IF: 4.259; 2014 IF: 5.578 |
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Call Number |
UA @ lucian @ c:irua:122743 |
Serial |
1062 |
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Permanent link to this record |
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Author |
Jorissen, B.; Covaci, L.; Partoens, B. |
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Title |
Comparative analysis of tight-binding models for transition metal dichalcogenides |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
SciPost physics core |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
004-30 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001170769300001 |
Publication Date |
2024-02-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202983 |
Serial |
9012 |
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Permanent link to this record |
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Author |
Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M. |
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Title |
Ferromagnetism in stacked bilayers of Pd/C60 |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
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Volume |
349 |
Issue |
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Pages |
128-134 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000326037600022 |
Publication Date |
2013-08-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-8853; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.63 |
Times cited |
8 |
Open Access |
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Notes |
; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; |
Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
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Call Number |
UA @ lucian @ c:irua:112214 |
Serial |
1184 |
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Permanent link to this record |
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Author |
Foltyn, M.; Norowski, K.; Wyszynski, M.J.; De Arruda, A.S.; Milošević, M.V.; Zgirski, M. |
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Title |
Probing confined vortices with a superconducting nanobridge |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical review applied |
Abbreviated Journal |
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Volume |
19 |
Issue |
4 |
Pages |
044073-12 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We realize a superconducting nanodevice in which vortex traps in the form of an aluminum square are integrated with a Dayem nanobridge. We perform field cooling of the traps arriving to different vortex configurations, dependent on the applied magnetic field, to demonstrate that the switching current of the bridge is highly sensitive to the presence and location of vortices in the trap. Our measurements exhibit unprecedented precision and ability to detect the first and successive vortex entries into all fabricated traps, from few hundred nm to 2 mu m in size. The experimental results are corroborated by Ginzburg-Landau simulations, which reveal the subtle yet crucial changes in the density of the superconducting condensate in the vicinity of the bridge with every additional vortex entry and relocation inside the trap. An ease of integration and simplicity make our design a convenient platform for studying dynamics of vortices in strongly confining geometries, involving a promise to manipulate vortex states electronically with simultaneous in situ control and monitoring. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000980861100007 |
Publication Date |
2023-04-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.6; 2023 IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:197356 |
Serial |
8918 |
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Permanent link to this record |
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Author |
Nistor, L.; Bender, H.; Vantomme, A.; Wu, M.F.; van Landuyt, J.; O'Donnell, K.P.; Martin, R.; Jacobs, K.; Moerman, I. |
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Title |
Direct evidence of spontaneous quantum dot formation in a thick InGaN epilayer |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
77 |
Issue |
4 |
Pages |
507-509 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a direct observation of quantum dots formed spontaneously in a thick InGaN epilayer by high resolution transmission electron microscopy. Investigation of a (280 nm thick) In0.22Ga0.78N single layer, emitting in the blue/green spectral region, reveals quantum dots with estimated sizes in the range of 1.5-3 nm. Such sizes are in very good agreement with calculations based on the luminescence spectra of this specimen. (C) 2000 American Institute of Physics. [S0003-6951(00)00930-X]. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000088225400016 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
44 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2000 IF: 3.906 |
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Call Number |
UA @ lucian @ c:irua:103448 |
Serial |
712 |
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Permanent link to this record |
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Author |
Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. |
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Title |
High-throughput analysis of tetragonal transition metal Xenes |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
24 |
Issue |
48 |
Pages |
29406-29412 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures. |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000892446100001 |
Publication Date |
2022-11-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:192762 |
Serial |
7310 |
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Permanent link to this record |
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Author |
Van Aert, S.; de Backer, A.; Martinez, G.T.; Goris, B.; Bals, S.; Van Tendeloo, G.; Rosenauer, A. |
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Title |
Procedure to count atoms with trustworthy single-atom sensitivity |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
87 |
Issue |
6 |
Pages |
064107-6 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a method to reliably count the number of atoms from high-angle annular dark field scanning transmission electron microscopy images. A model-based analysis of the experimental images is used to measure scattering cross sections at the atomic level. The high sensitivity of these measurements in combination with a thorough statistical analysis enables us to count atoms with single-atom sensitivity. The validity of the results is confirmed by means of detailed image simulations. We will show that the method can be applied to nanocrystals of arbitrary shape, size, and atom type without the need for a priori knowledge about the atomic structure. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000315144700006 |
Publication Date |
2013-02-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
106 |
Open Access |
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Notes |
FWO; 262348 ESMI; 312483 ESTEEM2;246791 COUNTATOMS; Hercules 3; esteem2_jra2 |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:105674 |
Serial |
2718 |
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Permanent link to this record |
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Author |
Theofanidis, S.A.; Galvita, V.V.; Poelman, H.; Dharanipragada, N.V.R.A.; Longo, A.; Meledina, M.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
Fe-containing magnesium aluminate support for stability and carbon control during methane reforming |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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Volume |
8 |
Issue |
7 |
Pages |
5983-5995 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a MgFexAl2-xO4 synthetic spinel, where x varies from 0 to 0.26, as support for Ni-based catalysts, offering stability and carbon control under various conditions of methane reforming. By incorporation of Fe into a magnesium aluminate spine!, a support is created with redox functionality and high thermal stability, as concluded from temporal analysis of products (TAP) experiments and redox cycling, respectively. A diffusion coefficient of 3 x 10(-17) m(2) s(-1) was estimated for lattice oxygen at 993 K from TAP experiments. X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) modeling identified that the incorporation of iron occurs as Fe3+ in the octahedral sites of the spinel lattice, replacing aluminum. Simulation of the X-ray absorption near edge structure (XANES) spectrum of the reduced support showed that 60 +/- 10% of iron was reduced from 3+ to 2+ at 1073 K, while there was no formation of metallic iron. A series of Ni/MgFexAl2-xO4 catalysts, where x varies from 0 to 0.26, was synthesized and reduced, yielding a supported Ni-Fe alloy. The evolution of the catalyst structure during H-2 temperature-programmed reduction (TPR) and CO2 temperature-programmed oxidation (TPO) was examined using time-resolved in situ XRD and XANES. During reforming, iron in both the support and alloy keeps control of carbon accumulation, as confirmed by O-2-TPO on the spent catalysts. By fine tuning the amount of Fe in MgFexAl2-xO4, a supported alloy was obtained with a Ni/Fe molar ratio of similar to 10, which was active for reforming and stable. By comparison of the performance of Ni-based catalysts with Fe either incorporated into or deposited onto the support, the location of Fe within the support proved crucial for the stability and carbon mitigation under reforming conditions. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000438475100034 |
Publication Date |
2018-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2155-5435 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.614 |
Times cited |
18 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the FAST industrialization by Catalyst Research and Development (FASTCARD) project, which is a Large Scale Collaborative Project supported by the European Commission in the 7th Framework Programme (GA no 604277), the “Long Term Structural Methusalem Funding by the Flemish Government”, the Interuniversity Attraction Poles Programme, IAP7/5, Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) in supplying financing of travel costs and beam time at the DUBBLE beamline of the ESRF. The authors acknowledge the assistance from the DUBBLE (ESRF, XAS campaign 26-01-1048) and ROCK staff (SOLEIL, proposal 201502561). The authors equally acknowledge support from a public grant overseen by the French National Research Agency (ANR) as part of the “Investissements d'Avenir” program (reference: ANR-10-EQPX-45) for the ROCK beamline and from Lukas Buelens and Rakesh Batchu (Laboratory for Chemical Technology, Ghent University) for the STEM measurements and TAP experiments, respectively. ; |
Approved |
Most recent IF: 10.614 |
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Call Number |
UA @ lucian @ c:irua:153178 |
Serial |
5102 |
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Permanent link to this record |
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Author |
Nistor, L.C.; Ghica, C.; Van Tendeloo, G. |
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Title |
Mesoseopic ordering in the 0.9 Pb(Mg1/3Nb2/3)O3-0.1 PbTiO3 relaxor ferroelectric : a HRTEM study |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Physica status solidi: C: conferences and critical reviews |
Abbreviated Journal |
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Volume |
4 |
Issue |
3 |
Pages |
736-739 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a microstructural and compositional study of a 90% Pb(Mg1/3Nb2/3)O-3 – 10% PbTiO3 ceramic sample. High resolution transmission electron microscopy (HRTEM) revealed the presence of compositional ordered nano-domains (1 – 4 mn), observable in two specific orientations, [0 (1) over bar 1] and [1 1 (2) over bar]. However, the visibility and the ordering degree of the nano-domains on the HRTEM images are not at all obvious. Fourier filtering of the images clearly revealed the ordered domains. Antiphase boundaries lying in the (111) planes separate them, while (100) and (111) facets separate the ordered domains from the disordered matrix. Their shape is plate-like, not uniformly spread in the disordered matrix. Their average size varies in different regions of the sample, most probably due to a non-uniform distribution of Ti, as observed by energy dispersive X-ray spectroscopy. (c) 2007 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000246104300008 |
Publication Date |
2007-03-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1610-1634;1610-1642; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:94663 |
Serial |
2004 |
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Permanent link to this record |
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Author |
Delville, R.; Schryvers, D. |
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Title |
Transmission electron microscopy study of combined precipitation of Ti2Ni(Pd) and Ti2Pd(Ni) in a Ti50Ni30Pd20 alloy |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Intermetallics |
Abbreviated Journal |
Intermetallics |
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Volume |
18 |
Issue |
12 |
Pages |
2353-2360 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a new mode of precipitation in a B19 martensitic Ti50Ni30Pd20 shape memory alloy consisting of a central Ti2Ni(Pd) precipitate surrounded by an austenite area containing Ti2Pd(Ni) precipitates. The morphology and crystallography of the precipitation area is investigated using conventional and high resolution electron microscopy. In particular, the orientation relationship and the coherency strain between the Ti2Pd(Ni) precipitate and the surrounding retained B2 matrix are discussed. A study of local composition in relation with a ternary phase diagram using X-ray energy dispersive spectroscopy with a nanoprobe gives evidences of the formation mechanism. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Chicago, Ill. |
Editor |
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Language |
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Wos |
000284447500014 |
Publication Date |
2010-09-04 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0966-9795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.14 |
Times cited |
9 |
Open Access |
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Notes |
Multimat; Iap |
Approved |
Most recent IF: 3.14; 2010 IF: 2.335 |
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Call Number |
UA @ lucian @ c:irua:84473 |
Serial |
3714 |
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Permanent link to this record |
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Author |
Meng, S.; Wu, L.; Liu, M.; Cui, Z.; Chen, Q.; Li, S.; Yan, J.; Wang, L.; Wang, X.; Qian, J.; Guo, H.; Niu, J.; Bogaerts, A.; Yi, Y. |
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Title |
Plasma‐driven<scp>CO2</scp>hydrogenation to<scp>CH3OH</scp>over<scp>Fe2O3</scp>/<scp>γ‐Al2O3</scp>catalyst |
Type |
A1 Journal Article |
|
Year |
2023 |
Publication |
AIChE Journal |
Abbreviated Journal |
AIChE Journal |
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Volume |
69 |
Issue |
10 |
Pages |
e18154 |
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Keywords |
A1 Journal Article; chemisorbed oxygen, CO2 hydrogenation, iron-based catalyst, methanol production, plasma catalysis; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
We report a plasma‐assisted CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH over Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>catalysts, achieving 12% CO<sub>2</sub>conversion and 58% CH<sub>3</sub>OH selectivity at a temperature of nearly 80°C atm pressure. We investigated the effect of various supports and loadings of the Fe‐based catalysts, as well as optimized reaction conditions. We characterized catalysts by X‐ray powder diffraction (XRD), hydrogen temperature programmed reduction (H<sub>2</sub>‐TPR), CO<sub>2</sub>and CO temperature programmed desorption (CO<sub>2</sub>/CO‐TPD), high‐resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), x‐ray photoelectron spectroscopy (XPS), Mössbauer, and Fourier transform infrared<bold>(</bold>FTIR). The XPS results show that the enhanced CO<sub>2</sub>conversion and CH<sub>3</sub>OH selectivity are attributed to the chemisorbed oxygen species on Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>. Furthermore, the diffuse reflectance infrared Fourier transform spectroscopy (DRIFTs) and TPD results illustrate that the catalysts with stronger CO<sub>2</sub>adsorption capacity exhibit a higher reaction performance.<italic>In situ</italic>DRIFTS gain insight into the specific reaction pathways in the CO<sub>2</sub>/H<sub>2</sub>plasma. This study reveals the role of chemisorbed oxygen species as a key intermediate, and inspires to design highly efficient catalysts and expand the catalytic systems for CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001022420000001 |
Publication Date |
2023-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0001-1541 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
Fundamental Research Funds for the Central Universities, DUT18JC42 ; National Natural Science Foundation of China, 21908016 21978032 ; |
Approved |
Most recent IF: 3.7; 2023 IF: 2.836 |
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Call Number |
PLASMANT @ plasmant @c:irua:197829 |
Serial |
8959 |
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Permanent link to this record |
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Author |
Robert, Hl.; Lobato, I.; Lyu, Fj.; Chen, Q.; Van Aert, S.; Van Dyck, D.; Müller-Caspary, K. |
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Title |
Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
233 |
Issue |
|
Pages |
113425 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission
electron microscopy under varying illumination conditions. As we perform successive changes of the probe
focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave.
With support from extensive simulations, each signal is shown to be characterised by an optimum focus for
which the contrast is maximum and which differs among different signals. For instance, a systematic focus
mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical
composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single
recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most
importantly, we demonstrate in experiment and simulation that the second moment ( |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000734396800009 |
Publication Date |
2021-11-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.2 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
We thank Dr. Florian Winkler for valuable discussions and experimental work at the early stages of this study. This work was supported by the Initiative and Network Fund of the Helmholtz Association (Germany) under contracts VH-NG-1317 and ZT-I-0025. This project furthermore received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No. 770887). |
Approved |
Most recent IF: 2.2 |
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Call Number |
EMAT @ emat @c:irua:184833 |
Serial |
6898 |
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Permanent link to this record |
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Author |
Groeneveld, E.; Witteman, L.; Lefferts, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C. |
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Title |
Tailoring ZnSe-CdSe colloidal quantum dots via cation exchange : from core/shell to alloy nanocrystals |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
7 |
Issue |
9 |
Pages |
7913-7930 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a study of Zn2+ by Cd2+ cation exchange (CE) in colloidal ZnSe nanocrystals (NCs). Our results reveal that CE in ZnSe NCs is a thermally activated isotropic process. The CE efficiency (i.e., fraction of Cd2+ ions originally in solution, Cdsol, that is incorporated in the ZnSe NC) increases with temperature and depends also on the Cdsol/ZnSe ratio. Interestingly, the reaction temperature can be used as a sensitive parameter to tailor both the composition and the elemental distribution profile of the product (Zn,Cd)Se NCs. At 150 °C ZnSe/CdSe core/shell hetero-NCs (HNCs) are obtained, while higher temperatures (200 and 220 °C) produce (Zn1xCdx)Se gradient alloy NCs, with increasingly smoother gradients as the temperature increases, until homogeneous alloy NCs are obtained at T ≥ 240 °C. Remarkably, sequential heating (150 °C followed by 220 °C) leads to ZnSe/CdSe core/shell HNCs with thicker shells, rather than (Zn1xCdx)Se gradient alloy NCs. Thermal treatment at 250 °C converts the ZnSe/CdSe core/shell HNCs into (Zn1xCdx)Se homogeneous alloy NCs, while preserving the NC shape. A mechanism for the cation exchange in ZnSe NCs is proposed, in which fast CE takes place at the NC surface, and is followed by relatively slower thermally activated solid-state cation diffusion, which is mediated by Frenkel defects. The findings presented here demonstrate that cation exchange in colloidal ZnSe NCs provides a very sensitive tool to tailor the nature and localization regime of the electron and hole wave functions and the optoelectronic properties of colloidal ZnSeCdSe NCs. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000330016900051 |
Publication Date |
2013-08-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851;1936-086X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
153 |
Open Access |
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Notes |
262348 Esmi; 246791 Countatoms |
Approved |
Most recent IF: 13.942; 2013 IF: 12.033 |
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Call Number |
UA @ lucian @ c:irua:110038 |
Serial |
3469 |
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Permanent link to this record |
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Author |
Pathangi, H.; Cherman, V.; Khaled, A.; Sorée, B.; Groeseneken, G.; Witvrouw, A. |
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Title |
Towards CMOS-compatible single-walled carbon nanotube resonators |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
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Volume |
107 |
Issue |
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Pages |
219-222 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report a totally CMOS-compatible fabrication technique to assemble horizontally suspended single-walled carbon nanotube (SWCNT) resonators. Individual SWCNTs are assembled in parallel at multiple sites by a technique called dielectrophoresis. The mechanical resonance frequencies of the suspended SWCNTs are in the range of 2035 MHz as determined from the piezoresistive response of the resonators during electrostatic actuation. The resistance of the suspended SWCNT either remains unchanged or increases or decreases significantly as a function of the actuation frequency. This can be explained by the effect the nanotube chirality has on the piezoresistive gauge factor. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000319855800040 |
Publication Date |
2012-07-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0167-9317; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.806 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.806; 2013 IF: 1.338 |
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Call Number |
UA @ lucian @ c:irua:109260 |
Serial |
3685 |
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Permanent link to this record |
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Author |
Latimer, M.L.; Berdiyorov, G.R.; Xiao, Z.L.; Peeters, F.M.; Kwok, W.K. |
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Title |
Realization of artificial ice systems for magnetic vortices in a superconducting MoGe thin film with patterned nanostructures |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
111 |
Issue |
6 |
Pages |
067001-67005 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report an anomalous matching effect in MoGe thin films containing pairs of circular holes arranged in such a way that four of those pairs meet at each vertex point of a square lattice. A remarkably pronounced fractional matching was observed in the magnetic field dependences of both the resistance and the critical current. At the half matching field the critical current can be even higher than that at zero field. This has never been observed before for vortices in superconductors with pinning arrays. Numerical simulations within the nonlinear Ginzburg-Landau theory reveal a square vortex ice configuration in the ground state at the half matching field and demonstrate similar characteristic features in the field dependence of the critical current, confirming the experimental realization of an artificial ice system for vortices for the first time. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000322799200013 |
Publication Date |
2013-08-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
63 |
Open Access |
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Notes |
; This work was supported by the US Department of Energy DOE BES under Contract No. DE-AC02-06CH11357 (transport measurements), the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government (numerical simulations). G. R. B. acknowledges an individual grant from FWO-Vl. The nanopatterning and morphological analysis were performed at Argonne's Center for Nanoscale Materials (CNM) which is funded by DOE BES under Contract No. DE-AC02-06CH11357. We are grateful to Dr. Charles Reichhardt in Los Alamos National Laboratory for stimulating discussions and critical comments. Z. L. X. acknowledges DOE BES Grant No. DE-FG02-06ER46334 (sample fabrication and imaging). M. L. L. was a recipient of the NIU/ANL Distinguished Graduate Fellowship grant. ; |
Approved |
Most recent IF: 8.462; 2013 IF: 7.728 |
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Call Number |
UA @ lucian @ c:irua:110750 |
Serial |
2836 |
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Permanent link to this record |
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Author |
Jungbauer, M.; Huehn, S.; Egoavil, R.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Moshnyaga, V. |
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Title |
Atomic layer epitaxy of Ruddlesden-Popper SrO(SrTiO3)n films by means of metalorganic aerosol deposition |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
105 |
Issue |
25 |
Pages |
251603 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report an atomic layer epitaxial growth of Ruddlesden-Popper (RP) thin films of SrO(SrTiO3)(n) (n = infinity, 2, 3, 4) by means of metalorganic aerosol deposition (MAD). The films are grown on SrTiO3(001) substrates by means of a sequential deposition of Sr-O/Ti-O-2 atomic monolayers, monitored in-situ by optical ellipsometry. X-ray diffraction and transmission electron microscopy (TEM) reveal the RP structure with n = 2-4 in accordance with the growth recipe. RP defects, observed by TEM in a good correlation with the in-situ ellipsometry, mainly result from the excess of SrO. Being maximal at the film/substrate interface, the SrO excess rapidly decreases and saturates after 5-6 repetitions of the SrO(SrTiO3)(4) block at the level of 2.4%. This identifies the SrTiO3 substrate surface as a source of RP defects under oxidizing conditions within MAD. Advantages and limitations of MAD as a solution-based and vacuum-free chemical deposition route were discussed in comparison with molecular beam epitaxy. (C) 2014 AIP Publishing LLC. |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000346914000007 |
Publication Date |
2014-12-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951;1077-3118; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
32 |
Open Access |
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Notes |
246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:122830UA @ admin @ c:irua:122830 |
Serial |
172 |
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Permanent link to this record |
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Author |
Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H. |
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Title |
Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Materials Research Express |
Abbreviated Journal |
Mater Res Express |
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Volume |
5 |
Issue |
3 |
Pages |
036415 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000428781400003 |
Publication Date |
2018-03-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1591 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.068 |
Times cited |
2 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 1.068 |
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Call Number |
UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 |
Serial |
5133 |
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Permanent link to this record |
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Author |
Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S. |
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Title |
Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
105 |
Issue |
6 |
Pages |
063116 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000341188700073 |
Publication Date |
2014-08-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951;1077-3118; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
12 |
Open Access |
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Notes |
FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2 |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:118333 |
Serial |
2482 |
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Permanent link to this record |