| |
Records |
|
Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
| |
Title |
The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| |
Volume |
184 |
Issue |
7 |
Pages |
1791-1799 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed. |
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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 |
London |
Editor |
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Language |
|
Wos |
000292718500032 |
Publication Date |
2011-05-26 |
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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 |
|
Edition |
|
| |
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.299 |
Times cited  |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
| |
Call Number |
UA @ lucian @ c:irua:90885 |
Serial |
3600 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nasirpouri, F.; Engbarth, M.A.; Bending, S.J.; Peter, L.M.; Knittel, A.; Fangohr, H.; Milošević, M.V. |
| |
Title |
Three-dimensional ferromagnetic architectures with multiple metastable states |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
98 |
Issue |
22 |
Pages |
222506,1-222506,3 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We demonstrate controllable dual-bath electrodeposition of nickel on architecture-tunable three-dimensional (3D) silver microcrystals. Magnetic hysteresis loops of individual highly faceted Ag-Ni core-shell elements reveal magnetization reversal that comprises multiple sharp steps corresponding to different stable magnetic states. Finite-element micromagnetic simulations on smaller systems show several jumps during magnetization reversal which correspond to transitions between different magnetic vortex states. Structures of this type could be realizations of an advanced magnetic data storage architecture whereby each element represents one multibit, storing a combination of several conventional bits depending on the overall number of possible magnetic states associated with the 3D core-shell shape. |
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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 |
|
| |
Language |
|
Wos |
000291405700044 |
Publication Date |
2011-06-03 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-6951; |
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 EPSRC in the U.K. under Grant Nos. EP/E039944/1 and EP/E040063/1, DYNAMAG project (EU FP7/2007-2013 Grant No. 233552), and FWO-Vlaanderen. ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
| |
Call Number |
UA @ lucian @ c:irua:90008 |
Serial |
3652 |
| Permanent link to this record |
| |
|
| |
|
Author |
Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K. |
| |
Title |
Tuning of anisotropy in two-electron quantum dots by spin-orbit interactions |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
99 |
Issue |
3 |
Pages |
032102,1-032102,3 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We investigate the influence of the spin-orbit interactions (SOIs) on the electron distribution and the optical absorption of a two-electron quantum dot. It is shown that the interplay between the SOIs makes the two-electron quantum dot behave like two laterally coupled quantum dots and the anisotropic distribution can be rotated from [110] to [11®0] by reversing the direction of the perpendicular electric field and detect it through the optical absorption spectrum. |
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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 |
|
| |
Language |
|
Wos |
000293679000026 |
Publication Date |
2011-07-18 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-6951; |
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 NSFC Grants No. 16760525405, 10874175 and 11004017 and the Belgian Science Policy 168(IAP). ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
| |
Call Number |
UA @ lucian @ c:irua:92473 |
Serial |
3749 |
| Permanent link to this record |
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|
| |
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Author |
Partoens, B.; Peeters, F.M. |
| |
Title |
Two vertically coupled quantum dots in a magnetic field |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| |
Volume |
298 |
Issue |
|
Pages |
282-286 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
| |
Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000168992800058 |
Publication Date |
2002-07-25 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.386 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.386; 2001 IF: 0.663 |
| |
Call Number |
UA @ lucian @ c:irua:34350 |
Serial |
3787 |
| Permanent link to this record |
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|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
| |
Title |
Vortex lattice in effective type-I superconducting films with periodic arrays of submicron holes |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| |
Volume |
437/438 |
Issue |
|
Pages |
25-28 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
| |
Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000238395700008 |
Publication Date |
2006-01-31 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.404 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2006 IF: 0.792 |
| |
Call Number |
UA @ lucian @ c:irua:58358 |
Serial |
3867 |
| Permanent link to this record |
| |
|
| |
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Author |
Milošević, M.V.; Peeters, F.M.; Jankó, B. |
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Title |
Vortex manipulation in superconducting films with tunable magnetic topology |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
| |
Volume |
24 |
Issue |
2 |
Pages |
024001-024001,6 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Using a combination of the phenomenological GinzburgLandau theory and micromagnetic simulations, we study properties of a superconducting film with an array of soft magnetic dots on top. An external in-plane magnetic field gradually drives the magnets from an out-of-plane or magnetic vortex state to an in-plane single-domain state, which changes spatially the distribution of the superconducting condensate. If induced by the magnets, the vortexantivortex molecules exhibit rich transitions as a function of the applied in-plane field. At the same time, we show how the magnetic dots act as very effective dynamic pinning centers for vortices in an applied perpendicular magnetic field. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| |
Language |
|
Wos |
000286379900002 |
Publication Date |
2011-01-20 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.878 |
Times cited |
8 |
Open Access |
|
| |
Notes |
; This research was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the JSPS/ESF-NES program, the bilateral project between Flanders and the USA, NSF NIRT, ECS-0609249, and the Institute for Theoretical Sciences. ; |
Approved |
Most recent IF: 2.878; 2011 IF: 2.662 |
| |
Call Number |
UA @ lucian @ c:irua:88731 |
Serial |
3870 |
| Permanent link to this record |
| |
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| |
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Author |
Xu, B.; Milošević, M.V.; Peeters, F.M. |
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Title |
Vortex matter in oblate mesoscopic superconductors with a hole: broken symmetry vortex states and multi-vortex entry |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
| |
Volume |
11 |
Issue |
|
Pages |
013020,1-013020,21 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Using three-dimensional (3D) numerical discretization of the GinzburgLandau (GL) equations, we investigate the superconducting state of a sphere with a piercing hole in the presence of a magnetic field. In the case of samples with central perforation, in axially applied homogeneous magnetic field, we realized unconventional vortex states of broken symmetry due to complex, 3D competing interactions, which depend on the GL parameter ê. For certain sizes of the sample, non-hysteretic multi-vortex entry and exit is predicted with the non-existence of some vorticities as stable states. In a tilted magnetic field, we studied the gradual transformation of 3D flux patterns into 1D vortex chains, where vortices align along the perforation, and the evolvement of the multi-vortex entry as well. We analyze the flux-guiding ability of the hole in a tilted field, which leads to fractional flux response in magnetization M(H) curves. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| |
Language |
|
Wos |
000262932500003 |
Publication Date |
2009-01-17 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.786 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
| |
Call Number |
UA @ lucian @ c:irua:75986 |
Serial |
3873 |
| Permanent link to this record |
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| |
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Author |
Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A. |
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Title |
DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
ChemCatChem |
Abbreviated Journal |
Chemcatchem |
| |
Volume |
8 |
Issue |
8 |
Pages |
1208-1217 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000373074900026 |
Publication Date |
2016-02-26 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1867-3880 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.803 |
Times cited |
8 |
Open Access |
|
| |
Notes |
; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ; |
Approved |
Most recent IF: 4.803 |
| |
Call Number |
c:irua:133236 |
Serial |
4070 |
| Permanent link to this record |
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| |
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Author |
Ekimov, E.A.; Kudryavtsev, O.S.; Turner, S.; Korneychuk, S.; Sirotinkin, V.P.; Dolenko, T.A.; Vervald, A.M.; Vlasov, I.I. |
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Title |
The effect of molecular structure of organic compound on the direct high-pressure synthesis of boron-doped nanodiamond: Effect of organic compound on synthesis of boron-doped nanodiamond |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
| |
Volume |
213 |
Issue |
213 |
Pages |
2582-2589 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Evolution of crystalline phases with temperature has been studied in materials produced by high-pressure high-temperature treatment of 9-borabicyclo[3.3.1]nonane dimer (9BBN), triphenylborane and trimesitylborane. The boron-doped diamond nanoparticles with a size below 10 nm were obtained at 8–9 GPa and temperatures 970–1250 °C from 9BBN only. Bridged structure and the presence of boron atom in the carbon cycle of 9BBN were revealed to be a key point for the direct synthesis of doped diamond nanocrystals. The diffusional transformation of the disordered carbon phase is suggested to be the main mechanism of the nanodiamond formation from 9BBN in the temperature range of 970–1400 °C. Aqueous suspensions of primary boron-doped diamond nanocrystals were prepared upon removal of non-diamond phases that opens wide opportunities for application of this new nanomaterial in electronics and biotechnologies. |
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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 |
|
Editor |
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Language |
|
Wos |
000388321500006 |
Publication Date |
2016-07-04 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
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Edition |
|
| |
ISSN |
1862-6300 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.775 |
| |
Call Number |
EMAT @ emat @ c:irua:135175 |
Serial |
4120 |
| Permanent link to this record |
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| |
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Author |
Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E. |
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Title |
One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
| |
Volume |
21 |
Issue |
21 |
Pages |
16154-16161 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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| |
Language |
|
Wos |
000363890700036 |
Publication Date |
2015-09-11 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
| |
ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
5.317 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 5.317; 2015 IF: 5.731 |
| |
Call Number |
UA @ lucian @ c:irua:129510 |
Serial |
4218 |
| Permanent link to this record |
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Author |
Garzia Trulli, M.; Claes, N.; Pype, J.; Bals, S.; Baert, K.; Terryn, H.; Sardella, E.; Favia, P.; Vanhulsel, A. |
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Title |
Deposition of aminosilane coatings on porous Al2O3microspheres by means of dielectric barrier discharges |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| |
Volume |
14 |
Issue |
14 |
Pages |
1600211 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
| |
Abstract |
Advances in the synthesis of porous microspheres and in their functionalization are increasing the interest in applications of alumina. This paper deals with coatings plasma deposited from 3-aminopropyltriethoxysilane by means of dielectric barrier discharges on alumina porous microspheres, shaped by a vibrational droplet coagulation technique. Aims of the work are the functionalization of the particles with active amino groups, as well as the evaluation of their surface coverage and of the penetration of the coatings into their pores. A multi-diagnostic approach was used for the chemical/morphological characterization of the particles. It was found that 5 min exposure to plasma discharges promotes the deposition of homogeneous coatings onto the microspheres and within their pores, down to 1 μm. |
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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 |
|
Wos |
000410773200003 |
Publication Date |
2017-01-05 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.846 |
Times cited |
8 |
Open Access |
OpenAccess |
| |
Notes |
The technical assistance of the VITO staff (Materials Dpt.) is gratefully acknowledged, especially D. Havermans, E. Van Hoof, R. Kemps (SEM-EDX), and A. De Wilde (Hg Porosimetry). Drs. S. Mullens and G. Scheltjens are kindly acknowledged for constructive discussions. Strategic Initiative Materials in Flanders (SIM) is gratefully acknowledged for its financial support. This research was carried out in the framework of the SIM-TRAP program (Tools for rational processing of nano-particles: controlling and tailoring nanoparticle based or nanomodified particle based materials). N. Claes and S. Bals acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 2.846 |
| |
Call Number |
EMAT @ emat @ c:irua:139511UA @ admin @ c:irua:139511 |
Serial |
4342 |
| Permanent link to this record |
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| |
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Author |
Goodvin, G.L.; Covaci, L.; Berciu, M. |
| |
Title |
Holstein polarons near surfaces |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys Rev Lett |
| |
Volume |
103 |
Issue |
17 |
Pages |
176402 |
| |
Keywords |
A1 Journal article |
| |
Abstract |
We study the effects of a nearby surface on the spectral weight of a Holstein polaron, using the inhomogeneous momentum average approximation which is accurate over the entire range of electron-phonon (e-ph) coupling strengths. The broken translational symmetry is taken into account exactly. We find that the e-ph coupling gives rise to a large additional surface potential, with strong retardation effects, which may bind surface states even when they are not normally expected. The surface, therefore, has a significant effect and bulk properties are recovered only very far away from it. These results demonstrate that interpretation in terms of bulk quantities of spectroscopic data sensitive only to a few surface layers is not always appropriate. |
| |
Address |
Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1 |
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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 |
English |
Wos |
000271164500042 |
Publication Date |
2009-10-22 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
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| |
Impact Factor |
8.462 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
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Call Number |
UA @ lucian @ |
Serial |
4435 |
| Permanent link to this record |
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Author |
Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. |
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Title |
First-principles material modeling of solid-state electrolytes with the spinel structure |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
|
Issue |
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Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ionic diffusion through the novel (AlxMg1-2xLix)Al2O4 spinel electrolyte is investigated using first-principles calculations, combined with the Kinetic Monte Carlo algorithm. We observe that the ionic diffusion increases with the lithium content x. Furthermore, the structural parameters, formation enthalpies and electronic structures of (AlxMg1-2xLix)Al2O4 are calculated for various stoichiometries. The overall results indicate the (AlxMg1-2xLix)Al2O4 stoichiometries x = 0.2...0.3 as most promising. The (AlxMg1-2xLix)Al2O4 electrolyte is a potential candidate for the all-spinel solid-state battery stack, with the material epitaxially grown between well-known spinel electrodes, such as LiyMn2O4 and Li4+3yTi5O12 (y = 0...1). Due to their identical crystal structure, a good electrolyte-electrode interface is expected. |
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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 |
Cambridge |
Editor |
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Language |
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Wos |
000332395700048 |
Publication Date |
2014-02-07 |
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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 |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:128893 |
Serial |
4520 |
| Permanent link to this record |
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Author |
Georgieva, V.; Berthelot, A.; Silva, T.; Kolev, S.; Graef, W.; Britun, N.; Chen, G.; van der Mullen, J.; Godfroid, T.; Mihailova, D.; van Dijk, J.; Snyders, R.; Bogaerts, A.; Delplancke-Ogletree, M.-P. |
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Title |
Understanding Microwave Surface-Wave Sustained Plasmas at Intermediate Pressure by 2D Modeling and Experiments: Understanding Microwave Surface-Wave Sustained Plasmas … |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| |
Volume |
14 |
Issue |
14 |
Pages |
1600185 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
An Ar plasma sustained by a surfaguide wave launcher is investigated at intermediate pressure (200–2667 Pa). Two 2D self-consistent models (quasi-neutral and plasma bulk-sheath) are developed and benchmarked. The complete set of electromagnetic and fluid equations and the boundary conditions are presented. The transformation of fluid equations from a local reference frame, that is, moving with plasma or when the gas flow is zero, to a laboratory reference frame, that is,
accounting for the gas flow, is discussed. The pressure range is extended down to 80 Pa by experimental measurements. The electron temperature decreases with pressure. The electron density depends linearly on power, and changes its behavior with pressure depending on the product of pressure and radial plasma size. |
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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 |
000403074000012 |
Publication Date |
2016-11-17 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
Federaal Wetenschapsbeleid; European Marie Curie RAPID project; European Union's Seventh Framework Programme, 606889 ; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:142807 |
Serial |
4568 |
| Permanent link to this record |
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Author |
Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y. |
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Title |
Can p-channel tunnel field-effect transistors perform as good as n-channel? |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
105 |
Issue |
4 |
Pages |
043103 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC. |
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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 |
|
Wos |
000341152600067 |
Publication Date |
2014-07-30 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
| |
Notes |
; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:134433 |
Serial |
4587 |
| Permanent link to this record |
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Author |
Zhang, L.; Batuk, D.; Chen, G.; Tarascon, J.-M. |
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Title |
Electrochemically activated MnO as a cathode material for sodium-ion batteries |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Electrochemistry communications |
Abbreviated Journal |
Electrochem Commun |
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Volume |
77 |
Issue |
|
Pages |
81-84 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Besides classical electrode materials pertaining to Li-ion batteries, recent interest has been devoted to pairs of active redox composites having a redox center and an intercalant source. Taking advantage of the NaPFG salt decomposition above 4.2 V. we extrapolate this concept to the electrochemical in situ preparation of F-based MnO composite electrodes for Na-ion batteries. Such electrodes exhibit a reversible discharge capacity of 145 mAh g(-1) at room temperature. The amorphization of pristine MnO electrode after activation is attributed to the electrochemical grinding effect caused by substantial atomic migration and lattice strain build-up upon cycling. (C) 2017 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 |
000399510400019 |
Publication Date |
2017-02-28 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
1388-2481 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.396 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
; This work was partially supported by the Hong Kong Research Grants Council under the General Research Fund Project #611213. L.Z. thanks the HKUST for his Postgraduate Studentship. ; |
Approved |
Most recent IF: 4.396 |
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Call Number |
UA @ lucian @ c:irua:143648 |
Serial |
4650 |
| Permanent link to this record |
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Author |
Hoang, D.-Q.; Pobedinskas, P.; Nicley, S.S.; Turner, S.; Janssens, S.D.; Van Bael, M.K.; D'Haen, J.; Haenen, K. |
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Title |
Elucidation of the Growth Mechanism of Sputtered 2D Hexagonal Boron Nitride Nanowalls |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
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Volume |
16 |
Issue |
7 |
Pages |
3699-3708 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Hexagonal boron nitride nanowall thin films were deposited on Si(100) substrates using a Ar(51%)/N-2(44%)/H-2(5%) gas mixture by unbalanced radio frequency sputtering. The effects of various target-to-substrate distances, substrate temperatures, and substrate tilting angles were investigated. When the substrate is close to the target, hydrogen etching plays a significant role in the film growth, while the effect is negligible for films deposited at a farther distance. The relative quantity of defects was measured by a non-destructive infrared spectroscopy technique that characterized the hydrogen incorporation at dangling nitrogen bonds at defect sites in the deposited films. Despite the films deposited at different substrate tilting angles, the nanowalls of those films were found to consistently grow vertical to the substrate surface, independent of the tilting angle. This implies that chemical processes, rather than physical ones, govern the growth of the nanowalls. The results also reveal that the degree of nanowall crystallization is tunable by varying the growth parameters. Finally, evidence of hydrogen desorption during vacuum annealing is given based on measurements of infrared stretching (E-1u) and bending (A(2u)) modes of the optical phonons, and the H-N vibration mode. |
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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 |
|
Editor |
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Language |
|
Wos |
000379456700020 |
Publication Date |
2016-05-25 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
1528-7483 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.055 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.055 |
| |
Call Number |
UA @ lucian @ c:irua:144690 |
Serial |
4652 |
| Permanent link to this record |
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Author |
Sankaran, K.J.; Duc Quang Hoang; Korneychuk, S.; Kunuku, S.; Thomas, J.P.; Pobedinskas, P.; Drijkoningen, S.; Van Bael, M.K.; D'Haen, J.; Verbeeck, J.; Leou, K.-C.; Leung, K.T.; Lin, I.-N.; Haenen, K. |
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Title |
Hierarchical hexagonal boron nitride nanowall-diamond nanorod heterostructures with enhanced optoelectronic performance |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
6 |
Issue |
93 |
Pages |
90338-90346 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A superior field electron emission (FEE) source made from a hierarchical heterostructure, where two-dimensional hexagonal boron nitride (hBN) nanowalls were coated on one-dimensional diamond nanorods (DNRs), is fabricated using a simple and scalable method. FEE characteristics of hBN-DNR display a low turn-on field of 6.0 V mu m(-1), a high field enhancement factor of 5870 and a high life-time stability of 435 min. Such an enhancement in the FEE properties of hBN-DNR derives from the distinctive material combination, i.e., high aspect ratio of the heterostructure, good electron transport from the DNR to the hBN nanowalls and efficient field emission of electrons from the hBN nanowalls. The prospective application of these heterostructures is further evidenced by enhanced microplasma devices using hBN-DNR as a cathode, in which the threshold voltage was lowered to 350 V, affirming the role of hBN-DNR in the improvement of electron emission. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
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Language |
|
Wos |
000385451800044 |
Publication Date |
2016-09-12 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
2046-2069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
8 |
Open Access |
|
| |
Notes |
The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. KJ Sankaran, and P Pobedinskas are Postdoctoral Fellows of the Research Foundation-Flanders (FWO). |
Approved |
Most recent IF: 3.108 |
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Call Number |
UA @ lucian @ c:irua:144757UA @ admin @ c:irua:144757 |
Serial |
4662 |
| Permanent link to this record |
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Author |
Volodin, A.; Van Haesendonck, C.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Stress dependence of the suspended graphene work function : vacuum Kelvin probe force microscopy and density functional theory |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
110 |
Issue |
19 |
Pages |
193101 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report on work function measurements on graphene, which is exfoliated over a predefined array of wells in silicon oxide, by Kelvin probe force microscopy operating in a vacuum. The obtained graphene sealed microchambers can support large pressure differences, providing controllable stretching of the nearly impermeable graphene membranes. These measurements allow detecting variations of the work function induced by the mechanical stresses in the suspended graphene where the work function varies linearly with the strain and changes by 62 +/- 2 meV for 1 percent of strain. Our related ab initio calculations result in a work function variation that is a factor of 1.4 larger than the experimental value. The limited discrepancy between the theory and the experiment can be accounted for by a charge transfer from the unstrained to the strained graphene regions. Published by AIP Publishing. |
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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 |
000402319200036 |
Publication Date |
2017-05-08 |
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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 |
|
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 |
; The authors wish to thank A. Klekachev (IMEC Leuven, Belgium) for the fabrication of the samples. This work was supported by the Science Foundation-Flanders (FWO, Belgium). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-Department EWI. The Hercules Foundation also funded the scanning probe microscopy equipment. ; |
Approved |
Most recent IF: 3.411 |
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Call Number |
UA @ lucian @ c:irua:144279 |
Serial |
4690 |
| Permanent link to this record |
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Author |
Voorhaar, L.; Diaz, M.M.; Leroux, F.; Rogers, S.; Abakumov, A.M.; Van Tendeloo, G.; Van Assche, G.; Van Mele, B.; Hoogenboom, R. |
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Title |
Supramolecular thermoplastics and thermoplastic elastomer materials with self-healing ability based on oligomeric charged triblock copolymers |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
NPG Asia materials |
Abbreviated Journal |
Npg Asia Mater |
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Volume |
9 |
Issue |
|
Pages |
e385 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Supramolecular polymeric materials constitute a unique class of materials held together by non-covalent interactions. These dynamic supramolecular interactions can provide unique properties such as a strong decrease in viscosity upon relatively mild heating, as well as self-healing ability. In this study we demonstrate the unique mechanical properties of phase-separated electrostatic supramolecular materials based on mixing of low molar mass, oligomeric, ABA-triblock copolyacrylates with oppositely charged outer blocks. In case of well-chosen mixtures and block lengths, the charged blocks are phase separated from the uncharged matrix in a hexagonally packed nanomorphology as observed by transmission electron microscopy. Thermal and mechanical analysis of the material shows that the charged sections have a T-g closely beyond room temperature, whereas the material shows an elastic response at temperatures far above this T-g ascribed to the electrostatic supramolecular interactions. A broad set of materials having systematic variations in triblock copolymer structures was used to provide insights in the mechanical properties and and self-healing ability in correlation with the nanomorphology of the materials. |
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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 |
000402065300005 |
Publication Date |
2017-05-26 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
1884-4049; 1884-4057 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.157 |
Times cited |
8 |
Open Access |
OpenAccess |
| |
Notes |
; This research was conducted in the framework of the SIM-SHE/NAPROM project and SIM is gratefully acknowledged for the financial support. ; |
Approved |
Most recent IF: 9.157 |
| |
Call Number |
UA @ lucian @ c:irua:144263 |
Serial |
4691 |
| Permanent link to this record |
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Author |
Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P. |
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Title |
Self-assembly of rigid magnetic rods consisting of single dipolar beads in two dimensions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
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Volume |
96 |
Issue |
1 |
Pages |
012603 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Molecular dynamics simulations are used to investigate the structural properties of a two-dimensional ensemble of magnetic rods, which are modeled as aligned single dipolar beads. The obtained self-assembled configurations can be characterized as (1) clusters, (2) percolated, and (3) ordered structures, and their structural properties are investigated in detail. By increasing the aspect ratio of the magnetic rods, we show that the percolation transition is suppressed due to the reduced mobility of the rods in two dimensions. Such a behavior is opposite to the one observed in three dimensions. A magnetic bulk phase is found with local ferromagnetic order and an unusual nonmonotonic behavior of the nematic order is observed. |
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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 |
|
Wos |
000405713900014 |
Publication Date |
2017-07-18 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
2470-0045;2470-0053; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
|
| |
Notes |
; This work was supported by the Brazilian agencies FUNCAP, CAPES, program Science without borders, and CNPq (Project No. 400748/2013-4), the joint CNPq-FWO bilateral project, and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 2.366 |
| |
Call Number |
UA @ lucian @ c:irua:145210 |
Serial |
4723 |
| Permanent link to this record |
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Author |
Li, J.; Pereira, P.J.; Yuan, J.; Lv, Y.-Y.; Jiang, M.-P.; Lu, D.; Lin, Z.-Q.; Liu, Y.-J.; Wang, J.-F.; Li, L.; Ke, X.; Van Tendeloo, G.; Li, M.-Y.; Feng, H.-L.; Hatano, T.; Wang, H.-B.; Wu, P.-H.; Yamaura, K.; Takayama-Muromachi, E.; Vanacken, J.; Chibotaru, L.F.; Moshchalkov, V.V. |
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Title |
Nematic superconducting state in iron pnictide superconductors |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
| |
Volume |
8 |
Issue |
1 |
Pages |
1880 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Nematic order often breaks the tetragonal symmetry of iron-based superconductors. It arises from regular structural transition or electronic instability in the normal phase. Here, we report the observation of a nematic superconducting state, by measuring the angular dependence of the in-plane and out-of-plane magnetoresistivity of Ba 0.5 K 0.5 Fe 2 As 2 single crystals. We find large twofold oscillations in the vicinity of the superconducting transition, when the direction of applied magnetic field is rotated within the basal plane. To avoid the influences from sample geometry or current flow direction, the sample was designed as Corbino-shape for in-plane and mesa-shape for out-of-plane measurements. Theoretical analysis shows that the nematic superconductivity arises from the weak mixture of the quasi-degenerate s-wave and d-wave components of the superconducting condensate, most probably induced by a weak anisotropy of stresses inherent to single crystals. |
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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 |
000416933400002 |
Publication Date |
2017-11-27 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
12.124 |
Times cited |
8 |
Open Access |
OpenAccess |
| |
Notes |
The authors J.L., P.J.P., and J.Y. contributed equally to this work. J.L. and J.Y. designed the experiments. J.L., H.-L.F., K.Y., and E.T.-M. grew the single crystals. J.L., J.Y., Y.-Y.L., M.-P.J., D.L., M.-Y.L., T.H., H.-B.W., P.-H.W., K.Y., E.T.-M., J.V., and V.V.M. fabricated the devices and measured transport properties. J.L., Y.-Y.L., Z.-Q.L., Y.-J.L., J.-F.W., and L.L. studied on the pulsed high field measurements. X.K. and G.V.T. measured the low temperature TEM. All authors discussed the data. J.L., P.J.P., and L.F.C. proposed the model and simulated the results. J.L., P.J.P., K.Y., E.T.-M., and L.F.C. analyzed the data and prepared the manuscript. |
Approved |
Most recent IF: 12.124 |
| |
Call Number |
EMAT @ emat @c:irua:147348 |
Serial |
4772 |
| Permanent link to this record |
| |
|
| |
|
Author |
Arsoski, V.V.; Grujić, M.M.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. |
| |
Title |
Normal and skewed phosphorene nanoribbons in combined magnetic and electric fields |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
96 |
Issue |
12 |
Pages |
125434 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The energy spectrum and eigenstates of single-layer black phosphorus nanoribbons in the presence of a perpendicular magnetic field and an in-plane transverse electric field are investigated by means of a tight-binding method, and the effect of different types of edges is examined analytically. A description based on a continuum model is proposed using an expansion of the tight-binding model in the long-wavelength limit. Thewave functions corresponding to the flatband part of the spectrum are obtained analytically and are shown to agree well with the numerical results from the tight-binding method for both narrow (10 nm) and wide (100 nm) nanoribbons. Analytical expressions for the critical magnetic field at which Landau levels are formed and the ranges of wave numbers in the dispersionless flatband segments in the energy spectra are derived. We examine the evolution of the Landau levels when an in-plane lateral electric field is applied, and we determine analytically how the edge states shift withmagnetic field. For wider nanoribbons, the conductance is shown to have a characteristic staircase shape in combined magnetic and electric fields. Some of the stairs in zigzag and skewed armchair nanoribbons originate from edge states that are found in the band gap. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| |
Language |
|
Wos |
000411572400008 |
Publication Date |
2017-09-25 |
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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 |
|
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 Erasmus+, the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ lucian @ c:irua:146738 |
Serial |
4791 |
| Permanent link to this record |
| |
|
| |
|
Author |
Bal, K.M.; Neyts, E.C. |
| |
Title |
Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| |
Volume |
20 |
Issue |
13 |
Pages |
8456-8459 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field. |
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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 |
000428779700007 |
Publication Date |
2018-03-12 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1463-9076 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.123 |
Times cited |
8 |
Open Access |
OpenAccess |
| |
Notes |
K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. |
Approved |
Most recent IF: 4.123 |
| |
Call Number |
PLASMANT @ plasmant @c:irua:150357 |
Serial |
4916 |
| Permanent link to this record |
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Author |
Garud, S.; Gampa, N.; Allen, T.G.; Kotipalli, R.; Flandre, D.; Batuk, M.; Hadermann, J.; Meuris, M.; Poortmans, J.; Smets, A.; Vermang, B. |
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Title |
Surface passivation of CIGS solar cells using gallium oxide |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
| |
Volume |
215 |
Issue |
7 |
Pages |
1700826 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se-2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5nm passivation layer show an substantial absolute improvement of 56mV in open-circuit voltage (V-OC), 1mAcm(-2) in short-circuit current density (J(SC)), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G). |
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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 |
000430128500015 |
Publication Date |
2018-02-27 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
1862-6300 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
; The work published in this paper was supported by the European Research Council (ERC) under the Union's Horizon 2020 research and innovation programme (grant agreement No 715027). The authors would also like to thank Dr. Marcel Simor (Solliance) for the CIGS layer fabrication and Prof. Johan Lauwaert (Universtiy of Ghent) for his guidance on DLTS measurements. ; |
Approved |
Most recent IF: 1.775 |
| |
Call Number |
UA @ lucian @ c:irua:150761 |
Serial |
4981 |
| Permanent link to this record |
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Author |
Kong, X.; Li, L.; Peeters, F.M. |
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Title |
Topological Dirac semimetal phase in <tex> $GexSny alloys |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
112 |
Issue |
25 |
Pages |
251601 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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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 |
|
| |
Language |
|
Wos |
000435987400013 |
Publication Date |
2018-06-18 |
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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 |
|
Series Issue |
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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 |
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Call Number |
UA @ lucian @ c:irua:151970UA @ admin @ c:irua:151970 |
Serial |
5045 |
| Permanent link to this record |
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Author |
Sandoval, S.; Kepic, D.; Perez del Pino, A.; Gyorgy, E.; Gomez, A.; Pfannmöller, M.; Van Tendeloo, G.; Ballesteros, B.; Tobias, G. |
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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 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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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. |
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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 |
000440505000029 |
Publication Date |
2018-07-05 |
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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 |
|
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 |
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Author |
Van der Donck, M.; Peeters, F.M. |
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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. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| |
Language |
|
Wos |
000445507000009 |
Publication Date |
2018-09-24 |
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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 |
|
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 |
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Author |
Van Pottelberge, R.; Van Duppen, B.; Peeters, F.M. |
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Title |
Electrical dipole on gapped graphene : bound states and atomic collapse |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
98 |
Issue |
16 |
Pages |
165420 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z alpha for different sizes of the dipole and for different regularization parameters. The dipole is modeled as consisting of a positive and negative charge. Bound states are found within the gap region with some energy levels that anticross and others that cross as function of the impurity strength Z alpha. The anticrossings are more pronounced and move to higher charges Z alpha when the length of the dipole decreases. These energy levels turn into atomic collapse states when they enter the positive (or negative) energy continuum. A smooth transition from the single-impurity behavior to the dipole one is observed: The states diving towards the continuum in the single-impurity case are gradually replaced by a series of anticrossings that represent a continuation of the diving states in the single-impurity case. By studying the local density of states at the edge of the dipole we show how the series of anticrossings persist in the positive and negative continuum. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
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Language |
|
Wos |
000447302700010 |
Publication Date |
2018-10-23 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
|
| |
Notes |
; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for R.V.P. and a postdoctoral grant for B.V.D. ; |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ lucian @ c:irua:154728UA @ admin @ c:irua:154728 |
Serial |
5094 |
| Permanent link to this record |
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Author |
Shah, N.A.; Li, L.L.; Mosallanejad, V.; Peeters, F.M.; Guo, G.-P. |
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Title |
Transport characteristics of multi-terminal pristine and defective phosphorene systems |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| |
Volume |
30 |
Issue |
45 |
Pages |
455705 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
Atomic vacancies and nanopores act as local scattering centers and modify the transport properties of charge carriers in phosphorene nanoribbons (PNRs). We investigate the influence of such atomic defects on the electronic transport of multi-terminal PNR. We use the non-equilibrium Green's function approach within the tight-binding framework to calculate the transmission coefficient and the conductance. Terminals induce band mixing resulting in oscillations in the conductance. In the presence of atomic vacancies and nanopores the conductance between non-axial terminals exhibit constructive scattering, which is in contrast to mono-axial two-terminal systems where the conductance exhibits destructive scattering. This can be understood from the spatial local density of states of the transport modes in the system. Our results provide fundamental insights into the electronic transport in PNR-based multi-terminal systems and into the ability of atomic defects and nanopores through tuning the transport properties. |
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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 |
000483049100001 |
Publication Date |
2019-08-07 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.44 |
Times cited |
8 |
Open Access |
|
| |
Notes |
; This work was supported by the National Key Research and Development Program of China (Grant No. 2016YFA0301700), the NNSFC (Grant No. 11625419), the Strategic Priority Research Program of the CAS (Grant Nos. XDB24030601 and XDB30000000), the Anhui initiative in Quantum information Technologies (Grants No. AHY080000), and the Flemish Science Foundation (FWO-Vl). This work was also supported by the Chinese Academy of Sciences and the World Academy of Science for the advancement of science in developing countries. ; |
Approved |
Most recent IF: 3.44 |
| |
Call Number |
UA @ admin @ c:irua:162760 |
Serial |
5429 |
| Permanent link to this record |
