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  Author (up) Title Year Publication Volume Times cited Additional Links Links
Adjizian, J.J.; De Marco, P.; Suarez-Martinez, I.; El Mel, A.A.; Snyders, R.; Gengler, R.Y.N.; Rudolf, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Ewels, C.P.; Platinum and palladium on carbon nanotubes : experimental and theoretical studies 2013 Chemical physics letters 571 23 UA library record; WoS full record; WoS citing articles pdf 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
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
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
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
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
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
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
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
Armelao, L.; Barreca, D.; Bottaro, G.; Gasparotto, A.; Maccato, C.; Tondello, E.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.; Štangar, U.L. Rational design of Ag/TiO2 nanosystems by a combined RF-sputtering/sol-gel approach 2009 ChemPhysChem : a European journal of chemical physics and physical chemistry 10 56 UA library record; WoS full record; WoS citing articles pdf doi
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I.A.; Ziabari, A.A. Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study 2021 Physical Chemistry Chemical Physics 23 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
Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F.; Peeters, F.M. Adsorption of molecules on C3N nanosheet : a first-principles calculations 2019 Chemical physics 526 46 UA library record; WoS full record; WoS citing articles pdf doi
Bafekry, A.; Gogova, D.; M. Fadlallah, M.; V. Chuong, N.; Ghergherehchi, M.; Faraji, M.; Feghhi, S.A.H.; Oskoeian, M. Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- and N-containing materials 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url doi
Bafekry, A.; Karbasizadeh, S.; Stampfl, C.; Faraji, M.; Hoat, D.M.; Sarsari, I.A.; Feghhi, S.A.H.; Ghergherehchi, M. Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers : a first-principles study on their tunable electronic properties via an electric field and mechanical strain 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles 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.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms 2020 Physical Chemistry Chemical Physics 22 18 UA library record; WoS full record; WoS citing articles url doi
Bafekry, A.; Stampfl, C.; Akgenc, B.; Mortazavi, B.; Ghergherehchi, M.; Nguyen, C.V. Embedding of atoms into the nanopore sites of the C₆N₆ and C₆N₈ porous carbon nitride monolayers with tunable electronic properties 2020 Physical Chemistry Chemical Physics 22 17 UA library record; WoS full record; WoS citing articles url 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
Bal, K.M. Nucleation rates from small scale atomistic simulations and transition state theory 2021 Journal Of Chemical Physics 155 UA library record; WoS full record; WoS citing articles url doi
Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. Free energy barriers from biased molecular dynamics simulations 2020 Journal Of Chemical Physics 153 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. On the time scale associated with Monte Carlo simulations 2014 The journal of chemical physics 141 26 UA library record; WoS full record; WoS citing articles 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
Bal, K.M.; Neyts, E.C. Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory 2022 Journal Of Chemical Physics 157 UA library record; WoS full record; WoS citing articles url doi
Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H. Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination 2021 Physical Chemistry Chemical Physics 23 1 UA library record; WoS full record; WoS citing articles pdf doi
Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) 2020 Journal Of Chemical Physics 152 10 UA library record; WoS full record; WoS citing articles pdf 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
Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications 2010 ChemPhysChem : a European journal of chemical physics and physical chemistry 11 38 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
Bittencourt, C.; Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Erni, R.; Van Tendeloo, G. Decorating carbon nanotubes with nickel nanoparticles 2007 Chemical physics letters 436 78 UA library record; WoS full record; WoS citing articles pdf doi
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