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  Author Title Year Publication Volume Times cited Additional Links Links
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
Zeng, Y.I.; Menghini, M.; Li, D.Y.; Lin, S.S.; Ye, Z.Z.; Hadermann, J.; Moorkens, T.; Seo, J.W.; Locquet, J.-P.; van Haesendonck, C. Unexpected optical response of single ZnO nanowires probed using controllable electrical contacts 2011 Physical chemistry, chemical physics 13 7 UA library record; WoS full record; WoS citing articles doi
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 pdf url 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
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
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
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
Kang, J.; Sahin, H.; Peeters, F.M. Mechanical properties of monolayer sulphides : a comparative study between MoS2, HfS2 and TiS3 2015 Physical chemistry, chemical physics 17 83 UA library record; WoS full record; WoS citing articles pdf url doi
Yagmurcukardes, M.; Horzum, S.; Torun, E.; Peeters, F.M.; Senger, R.T. Nitrogenated, phosphorated and arsenicated monolayer holey graphenes 2016 Physical chemistry, chemical physics 18 36 UA library record; WoS full record; WoS citing articles url doi
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 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
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
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 pdf url doi
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 pdf url doi
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 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
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 url doi
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 url 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
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 59 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 10 UA library record; WoS full record; WoS citing articles pdf doi
Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M. Single-layer structures of a100- and b010-Gallenene : a tight-binding approach 2019 Physical chemistry, chemical physics 21 14 UA library record; WoS full record; WoS citing articles pdf 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
Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study 2019 Physical chemistry, chemical physics 21 1 UA library record; WoS full record; WoS citing articles url doi
Izadi, M.E.; Bal, K.M.; Maghari, A.; Neyts, E.C. Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url 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.; 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
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
Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C. Stability of adsorption of Mg and Na on sulfur-functionalized MXenes 2021 Physical Chemistry Chemical Physics 23 7 UA library record; WoS full record; WoS citing articles doi
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