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  Author (down) Title Year Publication Volume Times cited Additional Links Links
Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K. Interface thermal conductivities induced by van der Waals interactions 2024 Physical chemistry, chemical physics 26 UA library record; WoS full record doi
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 url doi
de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. Ionized water confined in graphene nanochannels 2019 Physical chemistry, chemical physics 21 9 UA library record; WoS full record; WoS citing articles pdf doi
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. A systematic study of various 2D materials in the light of defect formation and oxidation 2019 Physical chemistry, chemical physics 21 1 UA library record; WoS full record; WoS citing articles pdf doi
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. A first principles study of p-type defects in LaCrO3 2017 Physical chemistry, chemical physics 19 16 UA library record; WoS full record; WoS citing articles url doi
Dabaghmanesh, S.; Neyts, E.C.; Partoens, B. van der Waals density functionals applied to corundum-type sesquioxides : bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces 2016 Physical chemistry, chemical physics 18 6 UA library record; WoS full record; WoS citing articles pdf doi
Calizzi, M.; Venturi, F.; Ponthieu, M.; Cuevas, F.; Morandi, V.; Perkisas, T.; Bals, S.; Pasquini, L. Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage 2016 Physical chemistry, chemical physics 18 31 UA library record; WoS full record; WoS citing articles pdf doi
Çakir, D.; Sahin, H.; Peeters, F.M. Doping of rhenium disulfide monolayers : a systematic first principles study 2014 Physical chemistry, chemical physics 16 58 UA library record; WoS full record; WoS citing articles pdf doi
Çakir, D.; Peeters, F.M. Fluorographane : a promising material for bipolar doping of MoS2 2015 Physical chemistry, chemical physics 17 7 UA library record; WoS full record; WoS citing articles pdf url doi
Çakir, D.; Kecik, D.; Sahin, H.; Durgun, E.; Peeters, F.M. Realization of a p-n junction in a single layer boron-phosphide 2015 Physical chemistry, chemical physics 17 104 UA library record; WoS full record; WoS citing articles pdf doi
Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) 2014 Physical chemistry, chemical physics 16 10 UA library record; WoS full record; WoS citing articles pdf doi
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 pdf url doi
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity 2014 Physical chemistry, chemical physics 16 43 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches 2018 Physical chemistry, chemical physics 20 8 UA library record; WoS full record; WoS citing articles pdf url doi
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitution 2019 Physical chemistry, chemical physics 21 52 UA library record; WoS full record; WoS citing articles url doi
Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F. Tuning the electronic and magnetic properties of antimonene nanosheets via point defects and external fields: first-principles calculations 2019 Physical chemistry, chemical physics 21 17 UA library record; WoS full record; WoS citing articles url doi
Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S. The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene 2012 Physical chemistry, chemical physics 14 67 UA library record; WoS full record; WoS citing articles pdf doi
Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. The role of the VZn-NO-H complex in the p-type conductivity in ZnO 2015 Physical chemistry, chemical physics 17 20 UA library record; WoS full record; WoS citing articles pdf url doi
Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels 2014 Physical chemistry, chemical physics 16 47 UA library record; WoS full record; WoS citing articles pdf doi
Ali, S.; Myasnichenko, V.S.; Neyts, E.C. Size-dependent strain and surface energies of gold nanoclusters 2016 Physical chemistry, chemical physics 18 37 UA library record; WoS full record; WoS citing articles pdf url doi
Aierken, Y.; Leenaerts, O.; Peeters, F.M. A first-principles study of stable few-layer penta-silicene 2016 Physical chemistry, chemical physics 18 42 UA library record; WoS full record; WoS citing articles pdf url doi
Aierken, Y.; Çakir, D.; Peeters, F.M. Strain enhancement of acoustic phonon limited mobility in monolayer TiS3 2016 Physical chemistry, chemical physics 18 24 UA library record; WoS full record; WoS citing articles pdf doi
Ahenach, J.; Cool, P.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. Influence of water on the pillaring of montmorillonite with aminopropyltriethoxysilane 1999 Physical chemistry, chemical physics 1 10 UA library record; WoS full record; WoS citing articles doi
Aerts, A.; Follens, L.R.A.; Biermans, E.; Bals, S.; Van Tendeloo, G.; Loppinet, B.; Kirschhock, C.E.A.; Martens, J.A. Modelling of synchrotron SAXS patterns of silicalite-1 zeolite during crystallization 2011 Physical chemistry, chemical physics 13 22 UA library record; WoS full record; WoS citing articles pdf doi
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