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  Author Title (up) 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 doi
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 doi
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 url doi
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 url doi
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 doi
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 url doi
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 url doi
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 doi
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 url doi
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 pdf doi
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 pdf url doi
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 doi
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 doi
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 doi
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 pdf url doi
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 pdf url doi
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 pdf url doi
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 doi
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 doi
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 url doi
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 doi
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 pdf url doi
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 url doi
Zhang, Z.; Partoens, B.; Chang, K.; Peeters, F.M. First-principles study of transition metal impurities in Si 2008 Physical review : B : condensed matter and materials physics 77 72 UA library record; WoS full record; WoS citing articles url doi
Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G. First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device 2016 Journal of applied physics 119 17 UA library record; WoS full record; WoS citing articles url doi
Bertoni, G.; Verbeeck, J.; Brosens, F. Fitting the momentum dependent loss function in EELS 2011 Microscopy research and technique 74 6 UA library record; WoS full record; WoS citing articles pdf doi
Dehhaghi, S.; Choobchian, S.; Ghobadian, B.; Farhadian, H.; Viira, A.-H.; Stefanie, H.I.; Van Passel, S.; Azadi, H. Five-year development plans of renewable energy policies in Iran : a content analysis 2022 Sustainability 14 UA library record; WoS full record; WoS citing articles url doi
Cheng, K.; Leys, M.; Degroote, S.; van Daele, B.; Boeykens, S.; Derluyn, J.; Germain, M.; Van Tendeloo, G.; Engelen, J.; Borghs, G. Flat GaN epitaxial layers grown on Si(111) by metalorganic vapor phase epitaxy using step-graded AlGaN intermediate layers 2006 Journal of electronic materials 35 102 UA library record; WoS full record; WoS citing articles doi
Conti, S.; Chaves, A.; Pandey, T.; Covaci, L.; Peeters, F.M.; Neilson, D.; Milošević, M.V. Flattening conduction and valence bands for interlayer excitons in a moire MoS₂/WSe₂ heterobilayer 2023 Nanoscale UA library record; WoS full record; WoS citing articles url doi
Borkowski, R.; Straub, M.; Ou, Y.; Lefevre, Y.; Jelić, Ž.L.; Lanneer, W.; Kaneda, N.; Mahadevan, A.; Hueckstaedt, V.; van Veen, D.; Houtsma, V.; Coomans, W.; Bonk, R.; Maes, J. FLCS-PON : a 100 Gbit/s flexible passive optical network: concepts and field trial 2021 Journal Of Lightwave Technology 39 UA library record; WoS full record; WoS citing articles pdf doi
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