| |
Author |
Title  |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
|
|
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 |
|
|
|
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 |
|
|
|
Dixit, H. |
First-principles electronic structure calculations of transparent conducting oxide materials |
2012 |
|
|
|
UA library record |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
Clima, S.; McMitchell, S.R.C.; Florent, K.; Nyns, L.; Popovici, M.; Ronchi, N.; Di Piazza, L.; Van Houdt, J.; Pourtois, G. |
First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications |
2018 |
2018 Ieee International Electron Devices Meeting (iedm) |
|
|
UA library record; WoS full record; WoS citing articles |
|
|
|
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 |
|
|
|
Li, L. |
First-principles studies of novel two-dimensional dirac materials |
2019 |
|
|
|
UA library record |
|
|
|
Aierken, Y. |
First-principles studies of novel two-dimensional materials and their physical properties |
2017 |
|
|
|
UA library record; |
|
|
|
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods |
2015 |
Journal of applied physics |
117 |
6 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
2019 |
The journal of physics and chemistry of solids |
132 |
7 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
First-principles study of defects at Σ3 grain boundaries in CuGaSe2 |
2021 |
Solid State Communications |
|
1 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Amini, M. |
First-principles study of defects in transparent conducting oxide materials |
2014 |
|
|
|
UA library record |
|
|
|
Peelaers, H.; Partoens, B.; Peeters, F.M. |
First-principles study of doped Si and Ge nanowires |
2008 |
Physica. E: Low-dimensional systems and nanostructures |
40 |
7 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Govaerts, K. |
First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures |
2015 |
|
|
|
UA library record |
|
|
|
Hassani, H.; Partoens, B.; Bousquet, E.; Ghosez, P. |
First-principles study of lattice dynamical properties of the room-temperature P2₁/n and ground-state P2₁/c phases of WO₃ |
2022 |
Physical review B |
105 |
5 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Hassani, H. |
First-principles study of polarons in WO₃ |
2023 |
|
|
|
UA library record |
|
|
|
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
First-principles study of possible shallow donors in ZnAl2O4 spinel |
2013 |
Physical review : B : condensed matter and materials physics |
87 |
50 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
First-principles study of strained 2D MoS2 |
2014 |
Physica. E: Low-dimensional systems and nanostructures |
56 |
72 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides |
2016 |
Journal of applied physics |
120 |
29 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Aierken, Y.; Leenaerts, O.; Peeters, F.M. |
First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons |
2018 |
Physical review B |
97 |
1 |
UA library record; WoS full record; WoS citing articles |
|
