| Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls |
2012 |
New journal of physics |
14 |
47 |
UA library record; WoS full record; WoS citing articles |
| Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A. |
Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field |
2015 |
New journal of physics |
17 |
18 |
UA library record; WoS full record; WoS citing articles |
| Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. |
Activation of CO2on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons |
2020 |
Journal Of Physical Chemistry C |
124 |
|
UA library record; WoS full record; WoS citing articles |
| Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B. |
Foundations of plasma catalysis for environmental applications |
2022 |
Plasma Sources Science & Technology |
|
|
UA library record; WoS full record; WoS citing articles |
| Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A. |
Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion |
2012 |
Physical review : B : condensed matter and materials physics |
85 |
31 |
UA library record; WoS full record; WoS citing articles |
| Ali, S.; Myasnichenko, V.S.; Neyts, E.C. |
Size-dependent strain and surface energies of gold nanoclusters |
2016 |
Physical chemistry, chemical physics |
18 |
37 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| Grubova, I.Y.; Surmenev, R.A.; Neyts, E.C.; Koptyug, A.V.; Volkova, A.P.; Surmeneva, M.A. |
Combined first-principles and experimental study on the microstructure and mechanical characteristics of the multicomponent additive-manufactured Ti-35Nb-7Zr-5Ta alloy |
2023 |
ACS Omega |
8 |
|
UA library record; WoS full record; WoS citing articles |
| Khosravian, N.; Kamaraj, B.; Neyts, E.C.; Bogaerts, A. |
Structural modification of P-glycoprotein induced by OH radicals: Insights from atomistic simulations |
2016 |
Scientific reports |
6 |
7 |
UA library record; WoS full record; WoS citing articles |
| Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. |
Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity |
2017 |
Scientific reports |
7 |
27 |
UA library record; WoS full record; WoS citing articles |
| Yusupov, M.; Wende, K.; Kupsch, S.; Neyts, E.C.; Reuter, S.; Bogaerts, A. |
Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments |
2017 |
Scientific reports |
7 |
27 |
UA library record; WoS full record; WoS citing articles |
| Hoon Park, J.; Kumar, N.; Hoon Park, D.; Yusupov, M.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.; Ho Kang, M.; Sup Uhm, H.; Ha Choi, E.; Attri, P.; |
A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma |
2015 |
Scientific reports |
5 |
32 |
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 |
| Amini, M.N.; Altantzis, T.; Lobato, I.; Grzelczak, M.; Sánchez-Iglesias, A.; Van Aert, S.; Liz-Marzán, L.M.; Partoens, B.; Bals, S.; Neyts, E.C. |
Understanding the Effect of Iodide Ions on the Morphology of Gold Nanorods |
2018 |
Particle and particle systems characterization |
35 |
6 |
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 |
| Khalilov, U.; Yusupov, M.; Bogaerts, A.; Neyts, E.C. |
Selective Plasma Oxidation of Ultrasmall Si Nanowires |
2016 |
The journal of physical chemistry: C : nanomaterials and interfaces |
120 |
3 |
UA library record; WoS full record; WoS citing articles |
| Huygh, S.; Bogaerts, A.; Neyts, E.C. |
How Oxygen Vacancies Activate CO2 Dissociation on TiO2 Anatase (001) |
2016 |
The journal of physical chemistry: C : nanomaterials and interfaces |
120 |
49 |
UA library record; WoS full record; WoS citing articles |
| Zhang, Y.-R.; Neyts, E.C.; Bogaerts, A. |
Influence of the Material Dielectric Constant on Plasma Generation inside Catalyst Pores |
2016 |
The journal of physical chemistry: C : nanomaterials and interfaces |
120 |
34 |
UA library record; WoS full record; WoS citing articles |
| Verlackt, C.C.W.; Van Boxem, W.; Dewaele, D.; Lemière, F.; Sobott, F.; Benedikt, J.; Neyts, E.C.; Bogaerts, A. |
Mechanisms of Peptide Oxidation by Hydroxyl Radicals: Insight at the Molecular Scale |
2017 |
The journal of physical chemistry: C : nanomaterials and interfaces |
121 |
5 |
UA library record; WoS full record; WoS citing articles |
| Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
Density functional theory study of interface interactions in hydroxyapatite/rutile composites for biomedical applications |
2017 |
The journal of physical chemistry: C : nanomaterials and interfaces |
121 |
5 |
UA library record; WoS full record; WoS citing articles |
| Vets, C.; Neyts, E.C. |
Stabilities of bimetallic nanoparticles for chirality-selective carbon nanotube growth and the effect of carbon interstitials |
2017 |
The journal of physical chemistry: C : nanomaterials and interfaces |
121 |
2 |
UA library record; WoS full record; WoS citing articles |
| Huygh, S.; Bogaerts, A.; Bal, K.M.; Neyts, E.C. |
High Coke Resistance of a TiO2Anatase (001) Catalyst Surface during Dry Reforming of Methane |
2018 |
Journal Of Physical Chemistry C |
122 |
1 |
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 |
| Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. |
CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging |
2019 |
The journal of physical chemistry: C : nanomaterials and interfaces |
123 |
4 |
UA library record; WoS full record; WoS citing articles |
| Van de Sompel, P.; Khalilov, U.; Neyts, E.C. |
Contrasting H-etching to OH-etching in plasma-assisted nucleation of carbon nanotubes |
2021 |
Journal Of Physical Chemistry C |
125 |
|
UA library record; WoS full record |
