| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| Faraji, M.; Bafekry, A.; Fadlallah, M.M.; Molaei, F.; Hieu, N.N.; Qian, P.; Ghergherehchi, M.; Gogova, D. |
Surface modification of titanium carbide MXene monolayers (Ti₂C and Ti₃C₂) via chalcogenide and halogenide atoms |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
| 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 |
| 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 |
| Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. |
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
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 |
| 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 |
| 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 |
