|
Records |
Links |
|
Author |
Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M. |
|
|
Title |
Phase transition and field effect topological quantum transistor made of monolayer MoS2 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
30 |
Issue |
23 |
Pages |
235303 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000432821600001 |
Publication Date |
2018-04-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.649 |
|
|
Call Number |
UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 |
Serial |
5035 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhang, H.; Wang, W.; Li, X.; Han, L.; Yan, M.; Zhong, Y.; Tu, X. |
|
|
Title |
Plasma activation of methane for hydrogen production in a N2 rotating gliding arc warm plasma : a chemical kinetics study |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
|
|
Volume |
345 |
Issue |
345 |
Pages |
67-78 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
In this work, a chemical kinetics study on methane activation for hydrogen production in a warm plasma, i.e., N-2 rotating gliding arc (RGA), was performed for the first time to get new insights into the underlying reaction mechanisms and pathways. A zero-dimensional chemical kinetics model was developed, which showed a good agreement with the experimental results in terms of the conversion of CH4 and product selectivities, allowing us to get a better understanding of the relative significance of various important species and their related reactions to the formation and loss of CH4, H-2, and C2H2 etc. An overall reaction scheme was obtained to provide a realistic picture of the plasma chemistry. The results reveal that the electrons and excited nitrogen species (mainly N-2(A)) play a dominant role in the initial dissociation of CH4. However, the H atom induced reaction CH4+ H -> CH3+ H-2, which has an enhanced reaction rate due to the high gas temperature (over 1200 K), is the major contributor to both the conversion of CH4 and H-2 production, with its relative contributions of > 90% and > 85%, respectively, when only considering the forward reactions. The coexistence and interaction of thermochemical and plasma chemical processes in the rotating gliding arc warm plasma significantly enhance the process performance. The formation of C-2 hydrocarbons follows a nearly one-way path of C2H6 -> C2H4 -> C2H2, explaining why the selectivities of C-2 products decreased in the order of C2H2 > C2H4 > C2H6. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
Elsevier Sequoia |
Place of Publication |
Lausanne |
Editor |
|
|
|
Language |
|
Wos |
000430696500008 |
Publication Date |
2018-03-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.216 |
Times cited |
25 |
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 6.216 |
|
|
Call Number |
UA @ lucian @ c:irua:151450 |
Serial |
5036 |
|
Permanent link to this record |
|
|
|
|
Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Saleh, M.; Farmanbar, M.; Salavati-fard, T. |
|
|
Title |
Plasmon modes in monolayer and double-layer black phosphorus under applied uniaxial strain |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
123 |
Issue |
17 |
Pages |
174301 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer, and double-layer black phosphorus structures in the long-wavelength limit within the linear elasticity theory. In the low-energy limit, these effects can be modeled through the change in the curvature of the anisotropic energy band along the armchair and zigzag directions. We derive analytical relations of the plasmon modes under uniaxial strain and show that the direction of the applied strain is important. Moreover, we observe that along the armchair direction, the changes of the plasmon dispersion with strain are different and larger than those along the zigzag direction. Using the analytical relations of two-layer phosphorene systems, we found that the strain-dependent orientation factor of layers could be considered as a means to control the variations of the plasmon energy. Furthermore, our study shows that the plasmonic collective modes are more affected when the strain is applied equally to the layers compared to the case in which the strain is applied asymmetrically to the layers. We also calculate the effect of strain on the drag resistivity in a double-layer black phosphorus structure and obtain that the changes in the plasmonic excitations, due to an applied strain, are mainly responsible for the predicted results. This study can be readily extended to other anisotropic two-dimensional materials. Published by AIP Publishing. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000431651600014 |
Publication Date |
2018-05-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.068 |
|
|
Call Number |
UA @ lucian @ c:irua:151522UA @ admin @ c:irua:151522 |
Serial |
5037 |
|
Permanent link to this record |
|
|
|
|
Author |
Rizzo, F.; Augieri, A.; Kursumovic, A.; Bianchetti, M.; Opherden, L.; Sieger, M.; Huehne, R.; Haenisch, J.; Meledin, A.; Van Tendeloo, G.; MacManus-Driscoll, J.L.; Celentano, G. |
|
|
Title |
Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
|
Volume |
10 |
Issue |
17 |
Pages |
8187-8195 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
An outstanding current carrying performance (namely critical current density, J(c)) over a broad temperature range of 10-77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7-x with Ba2Y(Nb,Ta)O-6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220-500 nm. J(c) values of 10 MA cm(-2) were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m(-3). The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of J(c) on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B||c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
|
Language |
|
Wos |
000432261400037 |
Publication Date |
2018-03-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
7.367 |
Times cited |
9 |
Open Access |
OpenAccess |
|
|
Notes |
; This work was partially financially supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/ 2007-2013) under Grant Agreement No. 280432. This work has been partially carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement no. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. ; |
Approved |
Most recent IF: 7.367 |
|
|
Call Number |
UA @ lucian @ c:irua:151520 |
Serial |
5038 |
|
Permanent link to this record |
|
|
|
|
Author |
Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M. |
|
|
Title |
Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
|
Volume |
10 |
Issue |
17 |
Pages |
8153-8161 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
|
Language |
|
Wos |
000432261400033 |
Publication Date |
2018-03-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
7.367 |
Times cited |
28 |
Open Access |
|
|
|
Notes |
; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; |
Approved |
Most recent IF: 7.367 |
|
|
Call Number |
UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 |
Serial |
5040 |
|
Permanent link to this record |
|
|
|
|
Author |
Grieb, T.; Krause, F.F.; Schowalter, M.; Zillmann, D.; Sellin, R.; Müller-Caspary, K.; Mahr, C.; Mehrtens, T.; Bimberg, D.; Rosenauer, A. |
|
|
Title |
Strain analysis from nano-beam electron diffraction : influence of specimen tilt and beam convergence |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
|
Volume |
190 |
Issue |
190 |
Pages |
45-57 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Strain analyses from experimental series of nano-beam electron diffraction (NBED) patterns in scanning transmission electron microscopy are performed for different specimen tilts. Simulations of NBED series are presented for which strain analysis gives results that are in accordance with experiment. This consequently allows to study the relation between measured strain and actual underlying strain. A two-tilt method which can be seen as lowest-order electron beam precession is suggested and experimentally implemented. Strain determination from NBED series with increasing beam convergence is performed in combination with the experimental realization of a probe-forming aperture with a cross inside. It is shown that using standard evaluation techniques, the influence of beam convergence on spatial resolution is lower than the influence of sharp rings around the diffraction disc which occur at interfaces and which are caused by the tails of the intensity distribution of the electron probe. (C) 2018 Elsevier B.V. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000432868800006 |
Publication Date |
2018-04-12 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.843 |
Times cited |
1 |
Open Access |
OpenAccess |
|
|
Notes |
; This work was supported by the German Research Foundation (DFG) under Contracts RO2057/11-1 and RO2057/12-1. ; |
Approved |
Most recent IF: 2.843 |
|
|
Call Number |
UA @ lucian @ c:irua:151454 |
Serial |
5041 |
|
Permanent link to this record |
|
|
|
|
Author |
Quintanilla, M.; Zhang, Y.; Liz-Marzan, L.M. |
|
|
Title |
Subtissue plasmonic heating monitored with CaF2:Nd3+,Y3+ nanothermometers in the second biological window |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
|
Volume |
30 |
Issue |
8 |
Pages |
2819-2828 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Measuring temperature in biological environments is an ambitious goal toward supporting medical treatment and diagnosis. Minimally invasive techniques based on optical probes require very specific properties that are difficult to combine within a single material. These include high chemical stability in aqueous environments, optical signal stability, low toxicity, high emission intensity, and, essential, working at wavelengths within the biological transparency windows so as to minimize invasiveness while maximizing penetration depth. We propose CaF2:Nd3+,Y3+ as a candidate for thermometry based on an intraband ratiometric approach, fully working within the biological windows (excitation at 808 nm; emission around 1050 nm). We optimized the thermal probes through the addition of Y3+ as a dopant to improve both emission intensity and thermal sensitivity. To define the conditions under which the proposed technique can be applied, gold nanorods were used to optically generate subtissue hot areas, while the resulting temperature variation was monitored with the new nanothermometers. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
|
|
|
Language |
|
Wos |
000431088400038 |
Publication Date |
2018-03-27 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.466 |
Times cited |
28 |
Open Access |
Not_Open_Access |
|
|
Notes |
; The authors would like to thank Dr. Guillermo Gonzalez Rubio for the kind support with the synthesis of gold nanorods. M.Q and L.M.L.-M. acknowledge financial support from the European Commission under the Marie Sklodowska-Curie program (H2020-MSCA-IF-2014_659021 – PHELLINI). Y.Z. acknowledges financial support from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 665501 through a FWO [PEGASUS]^2 Marie Sklodowska-Curie fellowship (12U4917N). ; |
Approved |
Most recent IF: 9.466 |
|
|
Call Number |
UA @ lucian @ c:irua:151576 |
Serial |
5042 |
|
Permanent link to this record |
|
|
|
|
Author |
Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. |
|
|
Title |
Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
J Nucl Mater |
|
|
Volume |
507 |
Issue |
507 |
Pages |
177-187 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000438019800021 |
Publication Date |
2018-04-30 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3115 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.048 |
Times cited |
1 |
Open Access |
Not_Open_Access |
|
|
Notes |
; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; |
Approved |
Most recent IF: 2.048 |
|
|
Call Number |
UA @ lucian @ c:irua:152382 |
Serial |
5043 |
|
Permanent link to this record |
|
|
|
|
Author |
Nematollahi, P.; Esrafili, M.D.; Neyts, E.C. |
|
|
Title |
The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
|
|
Volume |
672-673 |
Issue |
672-673 |
Pages |
39-46 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000432614700007 |
Publication Date |
2018-03-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0039-6028 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.062 |
Times cited |
1 |
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 2.062 |
|
|
Call Number |
UA @ lucian @ c:irua:151478 |
Serial |
5044 |
|
Permanent link to this record |
|
|
|
|
Author |
Kong, X.; Li, L.; Peeters, F.M. |
|
|
Title |
Topological Dirac semimetal phase in <tex> $GexSny alloys |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
112 |
Issue |
25 |
Pages |
251601 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Recently, two stable allotropes (germancite and stancite) for the group IV elements (Ge and Sn) with a staggered layered dumbell structure were proposed to be three-dimensional (3D) topological Dirac semimetals [Phys. Rev. B 93, 241117 (2016)]. A pair of Dirac points is on the rotation axis away from the time-reversal invariant momentum, and the stability of the 3D bulk Dirac points is protected by the C-3 rotation symmetry. Here, we use the first principles calculations to investigate GexSny alloys which share the same rhombohedral crystal structure with the space group of D-3d(6). Six GexSny alloys are predicted to be energetically and dynamically stable, where (x, y) = (8, 6) and (6, 8) and the alpha and beta phases of (10, 4) and (4, 10). Our results demonstrate that all the six GexSny alloys are topological Dirac semimetals. The different nontrivial surface states and surface Fermi arcs are identified. Our work will substantially enrich the family of 3D Dirac semimetals which are within the reach of experimental realization. Published by AIP Publishing. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000435987400013 |
Publication Date |
2018-06-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
|
|
Notes |
; This work was supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-VI), and the FLAG-ERA Project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; |
Approved |
Most recent IF: 3.411 |
|
|
Call Number |
UA @ lucian @ c:irua:151970UA @ admin @ c:irua:151970 |
Serial |
5045 |
|
Permanent link to this record |
|
|
|
|
Author |
Hu, S.; Gopinadhan, K.; Rakowski, A.; Neek-Amal, M.; Heine, T.; Grigorieva, I.V.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M. |
|
|
Title |
Transport of hydrogen isotopes through interlayer spacing in van der Waals crystals |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Nature nanotechnology |
Abbreviated Journal |
Nat Nanotechnol |
|
|
Volume |
13 |
Issue |
6 |
Pages |
468-+ |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Atoms start behaving as waves rather than classical particles if confined in spaces commensurate with their de Broglie wavelength. At room temperature this length is only about one angstrom even for the lightest atom, hydrogen. This restricts quantum-confinement phenomena for atomic species to the realm of very low temperatures(1-5). Here, we show that van der Waals gaps between atomic planes of layered crystals provide angstrom-size channels that make quantum confinement of protons apparent even at room temperature. Our transport measurements show that thermal protons experience a notably higher barrier than deuterons when entering van der Waals gaps in hexagonal boron nitride and molybdenum disulfide. This is attributed to the difference in the de Broglie wavelengths of the isotopes. Once inside the crystals, transport of both isotopes can be described by classical diffusion, albeit with unexpectedly fast rates comparable to that of protons in water. The demonstrated angstrom-size channels can be exploited for further studies of atomistic quantum confinement and, if the technology can be scaled up, for sieving hydrogen isotopes. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000434715700015 |
Publication Date |
2018-04-04 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1748-3387; 1748-3395 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
38.986 |
Times cited |
32 |
Open Access |
|
|
|
Notes |
; The authors acknowledge support from the Lloyd's Register Foundation, EPSRC – EP/N010345/1, the European Research Council ARTIMATTER project – ERC-2012-ADG and from Graphene Flagship. M.L.-H. acknowledges a Leverhulme Early Career Fellowship. ; |
Approved |
Most recent IF: 38.986 |
|
|
Call Number |
UA @ lucian @ c:irua:152014UA @ admin @ c:irua:152014 |
Serial |
5046 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhang, S.-H.; Yang, W.; Peeters, F.M. |
|
|
Title |
Veselago focusing of anisotropic massless Dirac fermions |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
97 |
Issue |
20 |
Pages |
205437 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000433026700005 |
Publication Date |
2018-05-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
|
|
Notes |
; This work was supported by the National Key R&D Program of China (Grant No. 2017YFA0303400), the NSFC (Grants No. 11504018 and No. 11774021), the MOST of China (Grant No. 2014CB848700), and the NSFC program for “Scientific Research Center” (Grant No. U1530401). Support by the bilateral project (FWO-MOST) is gratefully acknowledged. S.H.Z. is also supported by “the Fundamental Research Funds for the Central Universities (ZY1824).” We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC). ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:151501UA @ admin @ c:irua:151501 |
Serial |
5047 |
|
Permanent link to this record |
|
|
|
|
Author |
Heyne, M.H.; de Marneffe, J.-F.; Radu, I.; Neyts, E.C.; De Gendt, S. |
|
|
Title |
Thermal recrystallization of short-range ordered WS2 films |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
|
|
Volume |
36 |
Issue |
5 |
Pages |
05g501 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
The integration of van der Waals materials in nanoelectronic devices requires the deposition of few-layered MX2 films with excellent quality crystals covering a large area. In recent years, astonishing progress in the monolayer growth of WS2 and MoS2 was demonstrated, but multilayer growth resulted often in separated triangular or hexagonal islands. These polycrystalline films cannot fully employ the specific MX2 properties since they are not connected in-plane to the other domains. To coalesce separated islands, ultrahigh-temperature postdeposition anneals in H2S are applied, which are not compatible with bare silicon substrates. Starting from the deposition of stoichiometric short-ordered films, the present work studies different options for subsequent high-temperature annealing in an inert atmosphere to form crystalline films with large grains from stoichiometric films with small grains. The rapid thermal annealing, performed over a few seconds, is compared to excimer laser annealing in the nanosecond range, which are both able to crystallize the thin WS2. The WS2 recrystallization temperature can be lowered using metallic crystallization promoters (Co and Ni). The best result is obtained using a Co cap, due to the circumvention of Co and S binary phase formation below the eutectic temperature. The recrystallization above a critical temperature is accompanied by sulfur loss and 3D regrowth. These undesired effects can be suppressed by the application of a dielectric capping layer prior to annealing. A SiO2 cap can suppress the sulfur loss successfully during annealing and reveals improved material quality in comparison to noncapped films Published by the AVS. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000444033200002 |
Publication Date |
2018-07-05 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0734-2101 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.374 |
Times cited |
2 |
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.374 |
|
|
Call Number |
UA @ lucian @ c:irua:153671 |
Serial |
5134 |
|
Permanent link to this record |
|
|
|
|
Author |
Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H. |
|
|
Title |
Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Materials Research Express |
Abbreviated Journal |
Mater Res Express |
|
|
Volume |
5 |
Issue |
3 |
Pages |
036415 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
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. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
|
|
Language |
|
Wos |
000428781400003 |
Publication Date |
2018-03-07 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2053-1591 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.068 |
Times cited |
2 |
Open Access |
|
|
|
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 |
|
|
Call Number |
UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 |
Serial |
5133 |
|
Permanent link to this record |
|
|
|
|
Author |
Dabral, A.; Pourtois, G.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Collaert, N.; Horiguchi, N.; Houssa, M. |
|
|
Title |
Study of the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
|
|
Volume |
7 |
Issue |
6 |
Pages |
N73-N80 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped n-type 2D and 3D semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first principles calculations with Non-Equilibrium Green functions transport simulations. The evolution of the intrinsic contact resistivity with the doping concentration is found to saturate at similar to 2 x 10(-10) Omega.cm(2) for the case of TiSi and imposes an intrinsic limit to the ultimate contact resistance achievable for n-doped Silamorphous-TiSi (aTiSi). The limit arises from the intrinsic properties of the semiconductors and of the metals such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting heavy electron effective mass metals with semiconductor helps reducing the interface intrinsic contact resistivity. This observation seems to hold true regardless of the 3D character of the semiconductor, as illustrated for the case of three 2D semiconducting materials, namely MoS2, ZrS2 and HfS2. (C) The Author(s) 2018. Published by ECS. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
Electrochemical society |
Place of Publication |
Pennington (N.J.) |
Editor |
|
|
|
Language |
|
Wos |
000440836000004 |
Publication Date |
2018-05-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2162-8769; 2162-8777 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.787 |
Times cited |
2 |
Open Access |
Not_Open_Access |
|
|
Notes |
; The authors thank the imec core CMOS program members, the European Commission, its TAKEMI5 ECSEL research project and the local authorities for their support. ; |
Approved |
Most recent IF: 1.787 |
|
|
Call Number |
UA @ lucian @ c:irua:153205UA @ admin @ c:irua:153205 |
Serial |
5130 |
|
Permanent link to this record |
|
|
|
|
Author |
Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M. |
|
|
Title |
Slippage dynamics of confined water in graphene oxide capillaries |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
|
Volume |
2 |
Issue |
7 |
Pages |
074004 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
|
|
Language |
|
Wos |
000439435200006 |
Publication Date |
2018-07-23 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
|
Notes |
; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 |
Serial |
5128 |
|
Permanent link to this record |
|
|
|
|
Author |
Sandoval, S.; Kepic, D.; Perez del Pino, A.; Gyorgy, E.; Gomez, A.; Pfannmöller, M.; Van Tendeloo, G.; Ballesteros, B.; Tobias, G. |
|
|
Title |
Selective laser-assisted synthesis of tubular van der Waals heterostructures of single-layered PbI2 within carbon nanotubes exhibiting carrier photogeneration |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
|
|
Volume |
12 |
Issue |
7 |
Pages |
6648-6656 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The electronic and optical properties of two-dimensional layered materials allow the miniaturization of nanoelectronic and optoelectronic devices in a competitive manner. Even larger opportunities arise when two or more layers of different materials are combined. Here, we report on an ultrafast energy efficient strategy, using laser irradiation, which allows bulk synthesis of crystalline single-layered lead iodide in the cavities of carbon nanotubes by forming cylindrical van der Waals heterostructures. In contrast to the filling of van der Waals solids into carbon nanotubes by conventional thermal annealing, which favors the formation of inorganic nanowires, the present strategy is highly selective toward the growth of monolayers forming lead iodide nanotubes. The irradiated bulk material bearing the nanotubes reveals a decrease of the resistivity as well as a significant increase in the current flow upon illumination. Both effects are attributed to the presence of single-walled lead iodide nanotubes in the cavities of carbon nanotubes, which dominate the properties of the whole matrix. The present study brings in a simple, ultrafast and energy efficient strategy for the tailored synthesis of rolled-up single-layers of lead iodide (i.e., single-walled PbI2 nanotubes), which we believe could be expanded to other two-dimensional (2D) van der Waals solids. In fact, initial tests with ZnI2 already reveal the formation of single-walled ZnI2 nanotubes, thus proving the versatility of the approach. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000440505000029 |
Publication Date |
2018-07-05 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.942 |
Times cited |
8 |
Open Access |
OpenAccess |
|
|
Notes |
; We acknowledge funding from MINECO (Spain), through MAT2017-86616-R, ENE2017-89210-C2-1-R, and “Severo Ochoa” Programme for Centres of Excellence in R&D (SEV-2015-0496, SEV-2013-0295), CERCA programme for funding ICN2 and support from AGAUR of Generalitat de Catalunya through the projects 2017 SGR 1086, 2017 SGR 581 and 2017 SGR 327. We thank Thomas Swan Co., Ltd., for supplying MWCNT Elicarb samples. D.K. acknowledges financial support from the Ministry of Education, Science, and Technological Development of the Republic of Serbia for postdoctoral research. We are grateful to R Rurali (ICMAB-CSIC) for providing the structural model of the PbI<INF>2</INF> nanotube employed for the schematic representation of PbI<INF>2</INF>@MVWCNT. ; |
Approved |
Most recent IF: 13.942 |
|
|
Call Number |
UA @ lucian @ c:irua:153169 |
Serial |
5127 |
|
Permanent link to this record |
|
|
|
|
Author |
Vishwakarma, M.; Thota, N.; Karakulina, O.; Hadermann, J.; Mehta, B.R. |
|
|
Title |
Role of graphene inter layer on the formation of the MoS2 – CZTS interface during growth |
Type |
P1 Proceeding |
|
Year |
2018 |
Publication |
(icc-2017) |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The growth of MoS2 layer near the Mo/CZTS interface during sulphurization process can have an impact on back contact cell parameters (series resistance and fill factor) depending upon the thickness or quality of MoS2. This study reports the dependence of the thickness of interfacial MoS2 layer on the growth of graphene at the interface between molybdenum back contact and deposited CZTS layer. The graphene layer reduces the accumulation of Zn/ZnS, Sn/SnO2 and formation of pores near the MoS2-CZTS interface. The use of graphene as interface layer can be potentially useful for improving the quality of Mo/MoS2/CZTS interface. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
Amer inst physics |
Place of Publication |
Melville |
Editor |
|
|
|
Language |
|
Wos |
000436313003046 |
Publication Date |
2018-05-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
1953 |
Series Issue |
|
Edition |
|
|
|
ISSN |
978-0-7354-1648-2; 0094-243x; 0094-243x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
1 |
Open Access |
OpenAccess |
|
|
Notes |
; The authors acknowledge support provided by DST project. M.V. acknowledges IIT Delhi for MHRD fellowship. Prof. B. R. Mehta acknowledges the support of the Schlumberger chair professorship. ; |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:153203 |
Serial |
5126 |
|
Permanent link to this record |
|
|
|
|
Author |
Van der Donck, M.; Peeters, F.M. |
|
|
Title |
Rich many-body phase diagram of electrons and holes in doped monolayer transition metal dichalcogenides |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
11 |
Pages |
115432 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We use a variational technique to study the many-body phase diagram of electrons and holes in n-doped and p-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. (i) A fully spin polarized and valley polarized ferromagnetic state. (ii) A state with no global spin polarization but with spin polarization in each valley separately, i.e., spin-valley locking. (iii) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. (iv) A paramagnetic state with no valley polarization. These phases are separated by first-order phase transitions and are determined by the particle density and the dielectric constant of the substrate. We find that in the presence of a perpendicular magnetic field the four different phases persist. In the case of n-doped MoS2, a fifth phase, which is completely valley polarized but not spin polarized, appears for magnetic fields larger than 7 T and for magnetic fields larger than 23 T completely replaces the second phase. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000445507000009 |
Publication Date |
2018-09-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
|
|
|
Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:153622UA @ admin @ c:irua:153622 |
Serial |
5125 |
|
Permanent link to this record |
|
|
|
|
Author |
Leus, K.; Folens, K.; Nicomel, N.R.; Perez, J.P.H.; Filippousi, M.; Meledina, M.; Dirtu, M.M.; Turner, S.; Van Tendeloo, G.; Garcia, Y.; Du Laing, G.; Van Der Voort, P. |
|
|
Title |
Removal of arsenic and mercury species from water by covalent triazine framework encapsulated \gamma-Fe2O3 nanoparticles |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
|
|
Volume |
353 |
Issue |
353 |
Pages |
312-319 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The covalent triazine framework, CTF-1, served as host material for the in situ synthesis of Fe2O3 nanoparticles. The composite material consisted of 20 +/- 2 m% iron, mainly in gamma-Fe2O3 phase. The resulting gamma-Fe2O3@CTF-1 was examined for the adsorption of As-III, As-V and H-II from synthetic solutions and real surface-, ground- and wastewater. The material shows excellent removal efficiencies, independent from the presence of Ca2+, Mg2+ or natural organic matter and only limited dependency on the presence of phosphate ions. Its adsorption capacity towards arsenite (198.0 mg g(-1)), arsenate (102.3 mg g(-1)) and divalent mercury (165.8 mg g(-1)) belongs amongst the best-known adsorbents, including many other iron-based materials. Regeneration of the adsorbent can be achieved for use over multiple cycles without a decrease in performance by elution at 70 degrees C with 0.1 M NaOH, followed by a stirring step in a 5 m% H2O2 solution for As or 0.1 M thiourea and 0.001 M HCl for Hg. In highly contaminated water (100 mu gL(-1)), the adsorbent polishes the water quality to well below the current WHO limits. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000438002800035 |
Publication Date |
2018-04-16 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.065 |
Times cited |
22 |
Open Access |
OpenAccess |
|
|
Notes |
; Karen Leus acknowledges financial support from Ghent University. Nina Ricci Nicomel and Jeffrey Paulo H. Perez thank the funding of the VLIR-UOS. Marinela M. Dirtu acknowledges F.R.S.-FNRS for a Charge de recherches position. Stuart Turner gratefully acknowledges the FWO Vlaanderen for a post-doctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. ; |
Approved |
Most recent IF: 6.065 |
|
|
Call Number |
UA @ lucian @ c:irua:152430 |
Serial |
5124 |
|
Permanent link to this record |
|
|
|
|
Author |
Vodolazov, D.Y.; Berdiyorov, G.; Peeters, F.M. |
|
|
Title |
Negative magnetoresistance in thin superconducting films with parallel orientation of current and magnetic field |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
|
Volume |
552 |
Issue |
552 |
Pages |
64-66 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Thin superconducting films can exhibit negative magnetoresistance when an in-plane external magnetic field is aligned parallel with the transport current. We explain this effect as due to appearance of parallel vortices in the plain of the film at the first critical magnetic field H-c1 which leads to an enhancement of the superconducting properties and impedes the motion of the current induced perpendicular vortices. Our theoretical results are based on a numerical solution of the time-dependent and stationary 3D Ginzburg-Landau equations. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000440786600012 |
Publication Date |
2018-07-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.404 |
Times cited |
6 |
Open Access |
|
|
|
Notes |
; The work is supported by the Russian Science Foundation Project No. 17-72-30036 and the Malthusian programme of the Flemish government. ; |
Approved |
Most recent IF: 1.404 |
|
|
Call Number |
UA @ lucian @ c:irua:153067UA @ admin @ c:irua:153067 |
Serial |
5117 |
|
Permanent link to this record |
|
|
|
|
Author |
Zarenia, M.; Hamilton, A.R.; Peeters, F.M.; Neilson, D. |
|
|
Title |
Multiband mechanism for the sign reversal of Coulomb drag observed in double bilayer graphene heterostructures |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
121 |
Issue |
3 |
Pages |
036601 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Coupled 2D sheets of electrons and holes are predicted to support novel quantum phases. Two experiments of Coulomb drag in electron-hole (e-h) double bilayer graphene (DBLG) have reported an unexplained and puzzling sign reversal of the drag signal. However, we show that this effect is due to the multiband character of DBLG. Our multiband Fermi liquid theory produces excellent agreement and captures the key features of the experimental drag resistance for all temperatures. This demonstrates the importance of multiband effects in DBLG: they have a strong effect not only on superfluidity, but also on the drag. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000438883600008 |
Publication Date |
2018-07-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.462 |
Times cited |
7 |
Open Access |
|
|
|
Notes |
; We are grateful to Cory Dean, Emanuel Tutuc, and their research groups for discussing details of their experiments with us. This work was partially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program of the Flemish government, and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics Technologies (Project No. CE170100039). D. N. acknowledges support from the University of Camerino FAR project CESEMN. ; |
Approved |
Most recent IF: 8.462 |
|
|
Call Number |
UA @ lucian @ c:irua:152416UA @ admin @ c:irua:152416 |
Serial |
5116 |
|
Permanent link to this record |
|
|
|
|
Author |
Kandemir, A.; Peeters, F.M.; Sahin, H. |
|
|
Title |
Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via spectrum |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
|
Volume |
149 |
Issue |
8 |
Pages |
084707 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants). Published by AIP Publishing. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000444035800044 |
Publication Date |
2018-08-30 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.965 |
Times cited |
11 |
Open Access |
|
|
|
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from TUBITAK under Project No. 117F095. F.M.P. was supported by the FLAG-ERA-TRANS<INF>2D</INF>TMD. ; |
Approved |
Most recent IF: 2.965 |
|
|
Call Number |
UA @ lucian @ c:irua:153711UA @ admin @ c:irua:153711 |
Serial |
5115 |
|
Permanent link to this record |
|
|
|
|
Author |
Van Pottelberge, R.; Zarenia, M.; Peeters, F.M. |
|
|
Title |
Magnetic field dependence of atomic collapse in bilayer graphene |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
11 |
Pages |
115406 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The spectrum of a Coulomb impurity in bilayer graphene is investigated as function of the strength of a perpendicular magnetic field for different values of the angular quantum number m and for different values of the gate voltage. We point out fundamental differences between the results from the two-band and four-band model. The supercritical instability and fall-to-center phenomena are investigated in the presence of a magnetic field. We find that in the four-band model the fall-to-center phenomenon occurs as in monolayer graphene, while this is not the case in the two-band model. We find that in a magnetic field the supercritical instability manifests itself as a series of anticrossings in the hole part of the spectrum for states coming from the low-energy band. However, we also find very distinct anticrossings in the electron part of the spectrum that continue into the hole part, which are related to the higher energy band of the four-band model. At these anticrossings, we find a very sharp peak in the probability density close to the impurity, reminiscent for the fall-to-center phenomenon. In this paper, these peculiar and interesting effects are studied for different magnetic field, interlayer coupling, and bias potential strengths. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000443671900010 |
Publication Date |
2018-09-04 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
|
|
Notes |
; We thank Matthias Van der Donck and Ben Van Duppen for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:153654UA @ admin @ c:irua:153654 |
Serial |
5113 |
|
Permanent link to this record |
|
|
|
|
Author |
Filez, M.; Poelman, H.; Redekop, E.A.; Galvita, V.V.; Alexopoulos, K.; Meledina, M.; Ramachandran, R.K.; Dendooven, J.; Detavernier, C.; Van Tendeloo, G.; Safonova, O.V.; Nachtegaal, M.; Weckhuysen, B.M.; Marin, G.B. |
|
|
Title |
Kinetics of lifetime changes in bimetallic nanocatalysts revealed by quick X-ray absorption spectroscopy |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
|
|
Volume |
57 |
Issue |
38 |
Pages |
12430-12434 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Alloyed metal nanocatalysts are of environmental and economic importance in a plethora of chemical technologies. During the catalyst lifetime, supported alloy nanoparticles undergo dynamic changes which are well-recognized but still poorly understood. High-temperature O-2-H-2 redox cycling was applied to mimic the lifetime changes in model Pt13In9 nanocatalysts, while monitoring the induced changes by insitu quick X-ray absorption spectroscopy with one-second resolution. The different reaction steps involved in repeated Pt13In9 segregation-alloying are identified and kinetically characterized at the single-cycle level. Over longer time scales, sintering phenomena are substantiated and the intraparticle structure is revealed throughout the catalyst lifetime. The insitu time-resolved observation of the dynamic habits of alloyed nanoparticles and their kinetic description can impact catalysis and other fields involving (bi)metallic nanoalloys. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
|
|
Language |
|
Wos |
000444225100038 |
Publication Date |
2018-08-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.994 |
Times cited |
4 |
Open Access |
OpenAccess |
|
|
Notes |
; M.F. acknowledges a European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement (No. 748563). E.A.R acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (No. 301703). This work was supported by the Fund for Scientific Research Flanders (G.0209.11), the “Long Term Structural Methusalem Funding by the Flemish Government”. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7 /2007-2013) under grant agreement No. 312284 (CALIPSO). We thanks the Swiss Light Source for providing beamtime at the SuperXAS beamline. ; |
Approved |
Most recent IF: 11.994 |
|
|
Call Number |
UA @ lucian @ c:irua:153633 |
Serial |
5111 |
|
Permanent link to this record |
|
|
|
|
Author |
Van der Donck, M.; Peeters, F.M. |
|
|
Title |
Interlayer excitons in transition metal dichalcogenide heterostructures |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
11 |
Pages |
115104 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and a hole in the other TMD layer. An expression for the electron-hole interaction potential is derived, taking into account the effect of the dielectric environment above, below, and between the two TMD layers as well as polarization effects in the transition metal layer and in the chalcogen layers of the TMD layers. We calculate the interlayer exciton binding energy and average in-plane interparticle distance for different TMD heterostructures. The effect of different dielectric environments on the exciton binding energy is investigated and a remarkable dependence on the dielectric constant of the barrier between the two layers is found, resulting from competing effects as a function of the in-plane and out-of-plane dielectric constants of the barrier. The polarization effects in the chalcogen layers, which in general reduce the exciton binding energy, can lead to an increase in binding energy in the presence of strong substrate effects by screening the substrate. The excitonic absorbance spectrum is calculated and we show that the interlayer exciton peak depends linearly on a perpendicular electric field, which agrees with recent experimental results. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000443671900004 |
Publication Date |
2018-09-04 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
|
|
|
Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:153653UA @ admin @ c:irua:153653 |
Serial |
5110 |
|
Permanent link to this record |
|
|
|
|
Author |
Pahlke, P.; Sieger, M.; Ottolinger, R.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Haenisch, J.; Holzapfel, B.; Schultz, L.; Nielsch, K.; Huehne, R. |
|
|
Title |
Influence of artificial pinning centers on structural and superconducting properties of thick YBCO films on ABAD-YSZ templates |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
|
|
Volume |
31 |
Issue |
4 |
Pages |
044007 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Recent efforts in the development of YBa2Cu3O7-x (YBCO) coated conductors are devoted to the increase of the critical current I-c in magnetic fields. This is typically realized by growing thicker YBCO layers as well as by the incorporation of artificial pinning centers. We studied the growth of doped YBCO layers with a thickness of up to 7 mu m using pulsed laser deposition with a growth rate of about 1.2 nm s(-1). Industrially fabricated ion-beam textured YSZ templates based on metal tapes were used as substrates for this study. The incorporation of BaHfO3 (BHO) or Ba2Y(Nb0.5Ta0.5)O-6 (BYNTO) secondary phase additions leads to a denser microstructure compared to undoped films. A purely c-axis-oriented YBCO growth is preserved up to a thickness of about 4 mu m, whereas misoriented texture components were observed in thicker films. The critical temperature is slightly reduced compared to undoped films and independent of film thickness. The critical current density J(c) of the BHO- and BYNTO-doped YBCO layers is lower at 77 K and self-field compared to pure YBCO layers; however, I-c increases up to a thickness of 5 mu m. A comparison between films with a thickness of 1.3 mu m revealed that the anisotropy of the critical current density J(c)(theta) strongly depends on the incorporated pinning centers. Whereas BHO nanorods lead to a strong B vertical bar vertical bar c-axis peak, the overall anisotropy is significantly reduced by the incorporation of BYNTO forming a mixture of short c-axis-oriented nanorods and small (a-b)-oriented platelets. As a result, the J(c) values of the doped films outperform the undoped samples at higher fields and lower temperatures for most magnetic field directions. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
|
|
Language |
|
Wos |
000442196400001 |
Publication Date |
2018-02-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0953-2048 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.878 |
Times cited |
9 |
Open Access |
OpenAccess |
|
|
Notes |
; The authors acknowledge financial support from EURO-TAPES, a collaborative project funded by the European Union's Seventh Framework Programme (FP7/ 2007-2013) under Grant Agreement no. 280432. We thank A Usoskin (Bruker HTS GmbH, Germany) for the provision of buffered templates, and M Bianchetti, A Kursumovic and J L Mac-Manus-Driscoll (University of Cambridge, UK) for the supply of BYNTO targets. The authors also gratefully acknowledge the technical assistance of J Scheiter, M Kuhnel, U Besold (IFW) and R Nast (KIT). ; |
Approved |
Most recent IF: 2.878 |
|
|
Call Number |
UA @ lucian @ c:irua:153775 |
Serial |
5108 |
|
Permanent link to this record |
|
|
|
|
Author |
Wu, S.-M.; Liu, X.-L.; Lian, X.-L.; Tian, G.; Janiak, C.; Zhang, Y.-X.; Lu, Y.; Yu, H.-Z.; Hu, J.; Wei, H.; Zhao, H.; Chang, G.-G.; Van Tendeloo, G.; Wang, L.-Y.; Yang, X.-Y.; Su, B.-L. |
|
|
Title |
Homojunction of oxygen and titanium vacancies and its interfacial n-p effect |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
|
|
Volume |
30 |
Issue |
32 |
Pages |
1802173 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The homojunction of oxygen/metal vacancies and its interfacial n-p effect on the physiochemical properties are rarely reported. Interfacial n-p homojunctions of TiO2 are fabricated by directly decorating interfacial p-type titanium-defected TiO2 around n-type oxygen-defected TiO2 nanocrystals in amorphous-anatase homogeneous nanostructures. Experimental measurements and theoretical calculations on the cell lattice parameters show that the homojunction of oxygen and titanium vacancies changes the charge density of TiO2; a strong EPR signal caused by oxygen vacancies and an unreported strong titanium vacancies signal of 2D H-1 TQ-SQ MAS NMR are present. Amorphous-anatase TiO2 shows significant performance regarding the photogeneration current, photocatalysis, and energy storage, owing to interfacial n-type to p-type conductivity with high charge mobility and less structural confinement of amorphous clusters. A new homojunction of oxygen and titanium vacancies concept, characteristics, and mechanism are proposed at an atomic-/nanoscale to clarify the generation of oxygen vacancies and titanium vacancies as well as the interface electron transfer. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
|
|
Language |
|
Wos |
000440813300022 |
Publication Date |
2018-06-27 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
19.791 |
Times cited |
39 |
Open Access |
Not_Open_Access |
|
|
Notes |
; This work was supported by National Key R&D Program of China (2017YFC1103800), National SFC (U1662134, U1663225, 51472190, 51611530672, 21711530705, 51503166, 21706199), ISTCP (2015DFE52870), PCSIRT (IRT_15R52), HPNSF (2016CFA033, 2017CFB487), and SKLPPC (PPC2016007). ; |
Approved |
Most recent IF: 19.791 |
|
|
Call Number |
UA @ lucian @ c:irua:153106 |
Serial |
5105 |
|
Permanent link to this record |
|
|
|
|
Author |
Aierken, Y.; Leenaerts, O.; Peeters, F.M. |
|
|
Title |
First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
97 |
Issue |
23 |
Pages |
235436 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000436192300006 |
Publication Date |
2018-06-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478 |
Serial |
5104 |
|
Permanent link to this record |
|
|
|
|
Author |
Tang, Y.; Hunter, E.C.; Battle, P.D.; Hendrickx, M.; Hadermann, J.; Cadogan, J.M. |
|
|
Title |
Ferrimagnetism as a consequence of unusual cation ordering in the Perovskite SrLa2FeCoSbO9 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
|
Volume |
57 |
Issue |
12 |
Pages |
7438-7445 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A polycrystalline sample of SrLa2FeCoSbO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, magnetometry, Mossbauer spectroscopy, X-ray diffraction, and neutron diffraction. The compound adopts a monoclinic (space group P2(1)/n; a = 5.6218(6), b = 5.6221(6), c = 7.9440(8) angstrom, beta = 90.050(7)degrees at 300 K) perovskite-like crystal structure with two crystallographically distinct six-coordinate sites. One of these sites is occupied by 2/3 Co-2(+),1/3 Fe3+ and the other by 2/3 Sb5+, 1/3 Fe3+. This pattern of cation ordering results in a transition to a ferrimagnetic phase at 215 K. The magnetic moments on nearest-neighbor, six-coordinate cations align in an antiparallel manner, and the presence of diamagnetic Sb5+ on only one of the two sites results in a nonzero remanent magnetization of similar to 1 mu(B) per formula unit at 5 K. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
|
|
Language |
|
Wos |
000436023800073 |
Publication Date |
2018-05-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.857 |
Times cited |
6 |
Open Access |
Not_Open_Access |
|
|
Notes |
; PDB, ECH, and JH acknowledge support from EPSRC under grant EP/M0189954/1. We would like to thank the STFC for the award of beamtime at the ISIS Neutron and Muon Source (RB 1610100), and we thank Dr. I. da Silva for the assistance provided. We also thank Dr. R Paria Sena for help with the HAADF-STEM and STEM-EDX experiments. ; |
Approved |
Most recent IF: 4.857 |
|
|
Call Number |
UA @ lucian @ c:irua:152485 |
Serial |
5103 |
|
Permanent link to this record |