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  Author Title Year Publication Volume Times cited Additional Links Links
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
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 pdf 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
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
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
Duran, T.A.; Šabani, D.; Milošević, M.V.; Sahin, H. Experimental and theoretical investigation of synthesis and properties of dodecanethiol-functionalized MoS₂ 2023 Physical chemistry, chemical physics 25 UA library record; WoS full record 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
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
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
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
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
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
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
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
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
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 doi
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 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
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 7 UA library record; WoS full record; WoS citing articles pdf doi
Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study 2013 Physical chemistry, chemical physics 15 3 UA library record; WoS full record; WoS citing articles url doi
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 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
Loreto, S.; Cuypers, B.; Brokken, J.; Van Doorslaer, S.; De Wael, K.; Meynen, V. The effect of the buffer solution on the adsorption and stability of horse heart myoglobin on commercial mesoporous titanium dioxide : a matter of the right choice 2017 Physical chemistry, chemical physics 19 2 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
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 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
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
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
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
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 pdf doi
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