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Author |
Title  |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. |
First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism |
2012 |
Applied physics letters |
100 |
63 |
UA library record; WoS full record; WoS citing articles |
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|
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Sankaran, K.; Pourtois, G.; Degraeve, R.; Zahid, M.B.; Rignanese, G.-M.; Van Houdt, J. |
First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3 |
2010 |
Applied physics letters |
97 |
12 |
UA library record; WoS full record; WoS citing articles |
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Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. |
First-principles material modeling of solid-state electrolytes with the spinel structure |
2014 |
Physical chemistry, chemical physics |
|
8 |
UA library record; WoS full record; WoS citing articles |
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Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
2019 |
MRS advances |
4 |
3 |
UA library record; WoS full record; WoS citing articles |
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Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. |
First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 |
2022 |
Applied surface science |
572 |
|
UA library record; WoS full record; WoS citing articles |
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Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. |
First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate |
2020 |
Physical Chemistry Chemical Physics |
22 |
18 |
UA library record; WoS full record; WoS citing articles |
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Akande, S.O.; Samanta, B.; Sevik, C.; Cakir, D. |
First-principles investigation of mechanical and thermal properties of M Al B (M = Mo, W), Cr₂ AlB₂, and Ti₂ In B₂ |
2023 |
Physical review applied |
20 |
|
UA library record; WoS full record |
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Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
First-principles investigation of graphene fluoride and graphane |
2010 |
Physical review : B : condensed matter and materials physics |
82 |
367 |
UA library record; WoS full record; WoS citing articles |
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Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B. |
First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
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Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
First-principles investigation of bilayer fluorographene |
2012 |
The journal of physical chemistry: C : nanomaterials and interfaces |
116 |
39 |
UA library record; WoS full record; WoS citing articles |
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Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
First-principles investigation of B- and N-doped fluorographene |
2013 |
Physical review : B : condensed matter and materials physics |
88 |
16 |
UA library record; WoS full record; WoS citing articles |
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Bekaert, J.; Sevik, C.; Milošević, M.V. |
First-principles exploration of superconductivity in MXenes |
2020 |
Nanoscale |
12 |
15 |
UA library record; WoS full record; WoS citing articles |
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van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
First-principles electronic functionalization of silicene and germanene by adatom chemisorption |
2014 |
Applied surface science |
291 |
32 |
UA library record; WoS full record; WoS citing articles |
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Kocabas, T.; Cakir, D.; Sevik, C. |
First-principles discovery of stable two-dimensional materials with high-level piezoelectric response |
2021 |
Journal Of Physics-Condensed Matter |
33 |
|
UA library record; WoS full record; WoS citing articles |
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Titantah, J.T.; Lamoen, D. |
First-principles characterization of amorphous carbon nitride systems: structural and electronic properties |
2006 |
Physica status solidi: A: applied research |
203 |
3 |
UA library record; WoS full record; WoS citing articles |
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Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. |
First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors |
2004 |
Applied Physics Letters |
85 |
16 |
UA library record; WoS full record; WoS citing articles |
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Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
2005 |
Physical Review B |
72 |
42 |
UA library record; WoS full record; WoS citing articles |
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Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
2005 |
|
107 |
|
UA library record; WoS full record; |
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|
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Bertoni, G.; Calmels, L. |
First-principles calculation of the electronic structure and energy loss near edge spectra of chiral carbon nanotubes |
2006 |
Micron |
37 |
12 |
UA library record; WoS full record; WoS citing articles |
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Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon |
2016 |
Physical chemistry, chemical physics |
18 |
34 |
UA library record; WoS full record; WoS citing articles |
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Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A. |
First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various |
2022 |
Materials Today Communications |
31 |
|
UA library record; WoS full record |
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Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. |
First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts |
2005 |
Microelectronic engineering |
80 |
31 |
UA library record; WoS full record; WoS citing articles |
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Martin, J.M.L.; François, J.P.; Gijbels, R. |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers |
1992 |
The journal of chemical physics |
97 |
22 |
UA library record; WoS full record; WoS citing articles |
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Martin, J.M.L.; François, J.P.; Gijbels, R. |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers |
1992 |
The journal of chemical physics |
96 |
59 |
UA library record; WoS full record; WoS citing articles |
|
|
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Demirkol, Ö.; Sevik, C.; Demiroğlu, I. |
First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides |
2022 |
Physical chemistry, chemical physics |
24 |
|
UA library record; WoS full record; WoS citing articles |
|
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Devouard, B.; Baronnet, A.; Van Tendeloo, G.; Amelinckx, S. |
First evidence of synthetic polygonal serpentines |
1997 |
European journal of mineralogy |
9 |
15 |
UA library record; WoS full record; WoS citing articles |
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|
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Lebedev, O.I.; Millange, F.; Serre, C.; Van Tendeloo, G.; Férey, G. |
First direct imaging of giant pores of the metal-organic framework MIL-101 |
2005 |
Chemistry of materials |
17 |
191 |
UA library record; WoS full record; WoS citing articles |
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Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M. |
Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film |
2016 |
European physical journal : B : condensed matter and complex systems |
89 |
1 |
UA library record; WoS full record; WoS citing articles |
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Klimin, S.N.; Tempere, J.; Verhelst, N.; Milošević, M.V. |
Finite-temperature vortices in a rotating Fermi gas |
2016 |
Physical review A |
94 |
6 |
UA library record; WoS full record; WoS citing articles |
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Berdiyorov, G.R.; Elmurodov, A.K.; Peeters, F.M.; Vodolazov, D.Y. |
Finite-size effect on the resistive state in a mesoscopic type-II superconducting stripe |
2009 |
Physical review : B : solid state |
79 |
36 |
UA library record; WoS full record; WoS citing articles |
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