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Author  |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
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Badalov, S.V.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. |
Enhanced stability of single-layer w-Gallenene through hydrogenation |
2018 |
The journal of physical chemistry: C : nanomaterials and interfaces |
122 |
20 |
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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Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Mortazavi, B.; Ziabari, A.A.; Khatibani, A.B.; Nguyen, C., V; Ghergherehchi, M.; Gogova, D. |
Point defects in a two-dimensional ZnSnN₂ nanosheet : a first-principles study on the electronic and magnetic properties |
2021 |
Journal Of Physical Chemistry C |
125 |
|
UA library record; WoS full record; WoS citing articles |
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Bafekry, A.; Faraji, M.; Ziabari, A.A.; Fadlallah, M.M.; Nguyen, C., V; Ghergherehchi, M.; Feghhi, S.A.H. |
A van der Waals heterostructure of MoS₂/MoSi₂N₄ : a first-principles study |
2021 |
New Journal Of Chemistry |
45 |
|
UA library record; WoS full record; WoS citing articles |
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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 |
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Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F.; Peeters, F.M. |
Adsorption of molecules on C3N nanosheet : a first-principles calculations |
2019 |
Chemical physics |
526 |
52 |
UA library record; WoS full record; WoS citing articles |
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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 |
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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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Bafekry, A.; Nguyen, C.; Obeid, M.M.; Ghergherehchi, M. |
Modulating the electro-optical properties of doped C₃N monolayers and graphene bilayersviamechanical strain and pressure |
2020 |
New Journal Of Chemistry |
44 |
7 |
UA library record; WoS full record; WoS citing articles |
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Bafekry, A.; Obeid, M.; Nguyen, C.; Bagheri Tagani, M.; Ghergherehchi, M. |
Graphene hetero-multilayer on layered platinum mineral Jacutingaite (Pt₂HgSe₃): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances |
2020 |
Journal Of Materials Chemistry A |
8 |
20 |
UA library record; WoS full record; WoS citing articles |
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Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. |
C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain |
2019 |
The journal of physical chemistry: C : nanomaterials and interfaces |
123 |
81 |
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 |
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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 |
|
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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 |
|
|
Bafekry, A.; Stampfl, C.; Shayesteh, S.F. |
A first-principles study of C3N nanostructures : control and engineering of the electronic and magnetic properties of nanosheets, tubes and ribbons |
2020 |
Chemphyschem |
21 |
27 |
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 |
|
|
Baguer, N.; Neyts, E.; van Gils, S.; Bogaerts, A. |
Study of atmospheric MOCVD of TiO2 thin films by means of computational fluid dynamics simulations |
2008 |
Chemical vapor deposition |
14 |
14 |
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M. |
Nucleation rates from small scale atomistic simulations and transition state theory |
2021 |
Journal Of Chemical Physics |
155 |
|
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M. |
Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work |
2021 |
Journal Of Chemical Theory And Computation |
17 |
|
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M.; Bogaerts, A.; Neyts, E.C. |
Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium |
2020 |
Journal Of Physical Chemistry Letters |
11 |
|
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 |
|
|
Bal, K.M.; Neyts, E.C. |
On the time scale associated with Monte Carlo simulations |
2014 |
The journal of chemical physics |
141 |
26 |
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M.; Neyts, E.C. |
Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds |
2015 |
Journal of chemical theory and computation |
11 |
41 |
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M.; Neyts, E.C. |
Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations |
2016 |
Chemical science |
7 |
22 |
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 |
|
|
Bal, K.M.; Neyts, E.C. |
Overcoming Old Scaling Relations and Establishing New Correlations in Catalytic Surface Chemistry: Combined Effect of Charging and Doping |
2019 |
The journal of physical chemistry: C : nanomaterials and interfaces |
123 |
5 |
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M.; Neyts, E.C. |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
2022 |
Journal Of Chemical Physics |
157 |
|
UA library record; WoS full record; WoS citing articles |
|
|
Balazs, L.; Gijbels, R.; Vertes, A. |
Expansion of laser-generated plumes near the plasma ignition threshold |
1991 |
Analytical chemistry |
63 |
71 |
UA library record; WoS full record; WoS citing articles |
|
|
Bals, S.; Batenburg, K.J.; Liang, D.; Lebedev, O.; Van Tendeloo, G.; Aerts, A.; Martens, J.A.; Kirschhock, C.E. |
Quantitative three-dimensional modeling of zeotile through discrete electron tomography |
2009 |
Journal of the American Chemical Society |
131 |
58 |
UA library record; WoS full record; WoS citing articles |
|
|
Bals, S.; Goris, B.; Liz-Marzan, L.M.; Van Tendeloo, G. |
Three-dimensional characterization of noble-metal nanoparticles and their assemblies by electron tomography |
2014 |
Angewandte Chemie: international edition in English |
53 |
58 |
UA library record; WoS full record; WoS citing articles |
