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Author Title Year Publication Volume Times cited Additional Links
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
Heirman, P.; Van Boxem, W.; Bogaerts, A. Reactivity and stability of plasma-generated oxygen and nitrogen species in buffered water solution: a computational study 2019 Physical chemistry, chemical physics 21 7 UA library record; WoS full record; WoS citing articles
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
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
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
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 14 UA library record; WoS full record; WoS citing articles
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
Nikolaev, A.V.; Lamoen, D.; Partoens, B. Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions 2016 The journal of chemical physics 145 11 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
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
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
Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity 2017 Materials chemistry and physics 186 17 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
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
Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M. Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study 2021 Physical Chemistry Chemical Physics 23 4 UA library record; WoS full record
Naseri, M.; Bafekry, A.; Faraji, M.; Hoat, D.M.; Fadlallah, M.M.; Ghergherehchi, M.; Sabbaghi, N.; Gogova, D. Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles
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
Sozen, Y.; Yagmurcukardes, M.; Sahin, H. Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study 2021 Physical Chemistry Chemical Physics 23 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
Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes 2017 Chemical physics letters 687 2 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
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