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Author Title Year Publication Volume Times cited Additional Links
Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study 2017 Physical chemistry, chemical physics 19 19 UA library record; WoS full record; WoS citing articles
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. Structural and electronic properties of defects at grain boundaries in CuInSe2 2017 Physical chemistry, chemical physics 19 12 UA library record; WoS full record; WoS citing articles
Shirazi, M.; Bogaerts, A.; Neyts, E.C. A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics 2017 Physical chemistry, chemical physics 19 10 UA library record; WoS full record; WoS citing articles
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
Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc 2017 Physical chemistry, chemical physics 19 26 UA library record; WoS full record; WoS citing articles
Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet 2018 Physical chemistry, chemical physics 20 23 UA library record; WoS full record; WoS citing articles
Sanchez-Barriga, J.; Ogorodnikov, I.I.; Kuznetsov, M.V.; Volykhov, A.A.; Matsui, F.; Callaert, C.; Hadermann, J.; Verbitskiy, N.I.; Koch, R.J.; Varykhalov, A.; Rader, O.; Yashina, L.V. Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3 2017 Physical chemistry, chemical physics 19 4 UA library record; WoS full record; WoS citing articles
Verlackt, C.C.W.; Van Boxem, W.; Bogaerts, A. Transport and accumulation of plasma generated species in aqueous solution 2018 Physical chemistry, chemical physics 20 35 UA library record; WoS full record; WoS citing articles
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
Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M. Enhanced electrochemical performance of Li-rich cathode materials through microstructural control 2018 Physical chemistry, chemical physics 20 36 UA library record; WoS full record; WoS citing articles
Mefford, J.T.; Kurilovich, A.A.; Saunders, J.; Hardin, W.G.; Abakumov, A.M.; Forslund, R.P.; Bonnefont, A.; Dai, S.; Johnston, K.P.; Stevenson, K.J. Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La1-xSrxCoO3-\delta perovskite composite electrodes 2019 Physical chemistry, chemical physics 21 5 UA library record; WoS full record; WoS citing articles
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
Gorbanev, Y.; Van der Paal, J.; Van Boxem, W.; Dewilde, S.; Bogaerts, A. Reaction of chloride anion with atomic oxygen in aqueous solutions: can cold plasma help in chemistry research? 2019 Physical chemistry, chemical physics 21 4 UA library record; WoS full record; WoS citing articles
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
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
Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. High-throughput analysis of tetragonal transition metal Xenes 2022 Physical chemistry, chemical physics 24 1 UA library record; WoS full record; WoS citing articles
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
Filez, M.; Redekop, E.A.; Galvita, V.V.; Poelman, H.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Bell, A.T.; Marin, G.B. The role of hydrogen during Pt-Ga nanocatalyst formation 2016 Physical chemistry, chemical physics 18 10 UA library record; WoS full record; WoS citing articles
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
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. An electric field tunable energy band gap at silicene/(0001) ZnS interfaces 2013 Physical chemistry, chemical physics 15 74 UA library record; WoS full record; WoS citing articles
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
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. High throughput first-principles calculations of bixbyite oxides for TCO applications 2014 Physical chemistry, chemical physics 16 23 UA library record; WoS full record; WoS citing articles
Neyts, E.; Bogaerts, A. Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study 2006 Physical chemistry, chemical physics 8 7 UA library record; WoS full record; WoS citing articles
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
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
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
Verberck, B.; Okazaki, T.; Tarakina, N.V. Ordered and disordered packing of coronene molecules in carbon nanotubes 2013 Physical chemistry, chemical physics 15 9 UA library record; WoS full record; WoS citing articles
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
Sliem, M.A.; Turner, S.; Heeskens, D.; Kalidindi, S.B.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A. Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis 2012 Physical chemistry, chemical physics 14 16 UA library record; WoS full record; WoS citing articles
Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts 2000 Physical chemistry, chemical physics 2 53 UA library record; WoS full record; WoS citing articles