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Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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Leys, F.E.; March, N.H.; Lamoen, D. |
Thermodynamic consistency and integral equations for the liquid structure |
2002 |
Journal Of Chemical Physics |
117 |
|
UA library record; WoS full record; |
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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 |
|
|
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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 |
|
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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 |
|
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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 |
|
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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 |
|
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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 |
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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 |
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|
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
|
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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 |
|
|
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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 |
|
|
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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 |
|
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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 |
|
|
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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 |
|
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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 |
|
|
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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 |
|
|
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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 |
|
|
|
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 |
|
|
|
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 |
|
|
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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 |
|
|
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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 |
|
|
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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 |
|
|
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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 |
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