Author  |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| 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.; Faraji, M.; Yagmurcukardes, M.; Fadlallah, M.M.; Jappor, H.R.; Ghergherehchi, M.; Feghhi, S.A.H. |
A Dirac-semimetal two-dimensional BeN4 : thickness-dependent electronic and optical properties |
2021 |
Applied Physics Letters |
118 |
|
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Stampfl, C.; Ghergherehchi, M. |
Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures |
2020 |
Nanotechnology (Bristol. Print) |
|
19 |
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Stampfl, C.; Ghergherehchi, M.; Shayesteh, S.F. |
A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet |
2020 |
Carbon |
157 |
49 |
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, M.M.; Faraji, M.; Ghergherehchi, M.; Gogova, D.; Feghhi, S.A.H. |
Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer : a first-principles calculation |
2021 |
Journal Of Applied Physics |
129 |
|
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Stampfl, C.; Peeters, F.M. |
Dirac half-metallicity of thin PdCl₃ nanosheets : investigation of the effects of external fields, surface adsorption and defect engineering on the electronic and magnetic properties |
2020 |
Scientific Reports |
10 |
29 |
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Stampfl, C.; Peeters, F.M. |
The electronic, optical, and thermoelectric properties of monolayer PbTe and the tunability of the electronic structure by external fields and defects |
2020 |
Physica Status Solidi B-Basic Solid State Physics |
|
40 |
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M. |
Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation |
2019 |
Advanced Electronic Materials |
5 |
39 |
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Van Nguyen, C.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
Oxygen vacancies in the single layer of Ti₂CO₂ MXene: effects of gating voltage, mechanical strain, and atomic impurities |
2020 |
Physica Status Solidi B-Basic Solid State Physics |
|
|
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.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Nguyen, C. |
Van der Waals heterostructures of MoS₂ and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC₃, C₃N, C₃N₄ and C₄N₃) nanosheets: a first-principles study |
2020 |
Journal Of Physics D-Applied Physics |
|
|
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M. |
Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field |
2020 |
Carbon |
168 |
21 |
UA library record; WoS full record; WoS citing articles |
| Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. |
Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study |
2021 |
Applied Surface Science |
540 |
1 |
UA library record; WoS full record; WoS citing articles |
| Bagherpour, A.; Baral, P.; Colla, M.-S.; Orekhov, A.; Idrissi, H.; Haye, E.; Pardoen, T.; Lucas, S. |
Tailoring Mechanical Properties of a-C:H:Cr Coatings |
2023 |
Coatings |
13 |
|
UA library record; WoS full record |
| Bagiński, M.; Pedrazo-Tardajos, A.; Altantzis, T.; Tupikowska, M.; Vetter, A.; Tomczyk, E.; Suryadharma, R.N.S.; Pawlak, M.; Andruszkiewicz, A.; Górecka, E.; Pociecha, D.; Rockstuhl, C.; Bals, S.; Lewandowski, W. |
Understanding and Controlling the Crystallization Process in Reconfigurable Plasmonic Superlattices |
2021 |
Acs Nano |
|
10 |
UA library record; WoS full record; WoS citing articles |
| Bahrami, F.; Hammad, M.; Fivel, M.; Huet, B.; D'Haese, C.; Ding, L.; Nysten, B.; Idrissi, H.; Raskin, J.P.; Pardoen, T. |
Single layer graphene controlled surface and bulk indentation plasticity in copper |
2021 |
International Journal Of Plasticity |
138 |
|
UA library record; WoS full record; WoS citing articles |
| Bai, J.; Wang, J.T.-W.; Rubio, N.; Protti, A.; Heidari, H.; Elgogary, R.; Southern, P.; Al-Jamal, W.' T.; Sosabowski, J.; Shah, A.M.; Bals, S.; Pankhurst, Q.A.; Al-Jamal, K.T. |
Triple-Modal Imaging of Magnetically-Targeted Nanocapsules in Solid TumoursIn Vivo |
2016 |
Theranostics |
6 |
54 |
UA library record; WoS full record; WoS citing articles |
| Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P. |
Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach |
2016 |
Physical review : B : condensed matter and materials physics |
93 |
5 |
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.; Cautereels, J.; Blockhuys, F. |
Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 |
2017 |
Journal of molecular structure |
1132 |
|
UA library record; WoS full record |
| 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.; Huygh, S.; Bogaerts, A.; Neyts, E.C. |
Effect of plasma-induced surface charging on catalytic processes: application to CO2activation |
2018 |
Plasma sources science and technology |
27 |
19 |
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. |
Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption |
2021 |
Journal Of Physics D-Applied Physics |
54 |
|
UA library record; WoS full record; WoS citing articles |
