Erik C Neyts (E C Neyts, Erik Neyts, E Neyts)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 26

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Walled Carbon Nanotubes

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. C, Nanomaterials and interfaces

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Yuxiang Cai, Roel Michiels, Federica De Luca, Erik C Neyts, Xin Tu, Annemie Bogaerts, Nick Gerrits
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (21) (2024)
Panichiyil V Navya, Krithika Ganesan, Erik C Neyts, Srinivasan Sampath
Heterocycle- and Amine-Free Electrochromic and Electrofluorochromic Molecules for Energy-Saving See-Through Smart Windows and Displays. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (40) (2024)
Yuxiang Cai, Roel Michiels, Federica De Luca, Erik C Neyts, Xin Tu, Annemie Bogaerts, Nick Gerrits
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (21) (2024)
Roel Michiels, Nick Gerrits, Erik C Neyts, Annemie Bogaerts
Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley-Rideal? The journal of physical chemistry. C, Nanomaterials and interfaces 128 (27) (2024)
Fahim Faraji, Erik C Neyts, Milorad V Milošević, François M Peeters
Capillary Condensation of Water in Graphene Nanocapillaries. Nano letters (2024)
Abhijit Gogoi, Erik C Neyts, François M Peeters
Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H 3 O + and OH - ions. Physical chemistry chemical physics : PCCP 26 (13) (2024)
Fahim Faraji, Erik C Neyts, Milorad V Milošević, François M Peeters
Capillary Condensation of Water in Graphene Nanocapillaries. Nano letters 24 (18) (2024)
Panichiyil V Navya, Krithika Ganesan, Erik C Neyts, Srinivasan Sampath
Heterocycle- and Amine-Free Electrochromic and Electrofluorochromic Molecules for Energy-Saving See-Through Smart Windows and Displays. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Roel Michiels, Nick Gerrits, Erik C Neyts, Annemie Bogaerts
Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley-Rideal? The journal of physical chemistry. C, Nanomaterials and interfaces 128 (27) (2024)
Abhijit Gogoi, Erik C Neyts, François M Peeters
Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H 3 O + and OH - ions. Physical chemistry chemical physics : PCCP (2024)
Irina Yu Grubova, Roman A Surmenev, Erik C Neyts, Andrey V Koptyug, Anastasia P Volkova, Maria A Surmeneva
Combined First-Principles and Experimental Study on the Microstructure and Mechanical Characteristics of the Multicomponent Additive-Manufactured Ti-35Nb-7Zr-5Ta Alloy. ACS omega 8 (30) (2023)
Fahim Faraji, Mehdi Neek-Amal, Erik C Neyts, François M Peeters
Indentation of graphene nano-bubbles. Nanoscale 14 (15) (2022)
Abhijit Gogoi, Erik C Neyts, Milorad V Milošević, François M Peeters
Arresting Aqueous Swelling of Layered Graphene-Oxide Membranes with H 3 O + and OH - Ions. ACS applied materials & interfaces 14 (30) (2022)
Z Javdani, Nasim Hassani, F Faraji, R Zhou, Chengzhen Sun, B Radha, Erik C Neyts, François M Peeters, Mehdi Neek-Amal
Clogging and Unclogging of Hydrocarbon-Contaminated Nanochannels. The journal of physical chemistry letters (2022)
Parisa Nematollahi, Erik C Neyts
Distribution Pattern of Metal Atoms in Bimetal-Doped Pyridinic-N 4 Pores Determines Their Potential for Electrocatalytic N 2 Reduction. The journal of physical chemistry. A 126 (20) (2022)
Renan Villarreal, Pin-Cheng Lin, Fahim Faraji, Nasim Hassani, Harsh Bana, Zviadi Zarkua, Maya N Nair, Hung-Chieh Tsai, Manuel Auge, Felix Junge, Hans C Hofsaess, Stefan De Gendt, Steven De Feyter, Steven Brems, E Harriet Åhlgren, Erik C Neyts, Lucian Covaci, François M Peeters, Mehdi Neek-Amal, Lino M C Pereira
Breakdown of Universal Scaling for Nanometer-Sized Bubbles in Graphene. Nano letters 21 (19) (2021)
Kristof M Bal, Satoru Fukuhara, Yasushi Shibuta, Erik C Neyts
Free energy barriers from biased molecular dynamics simulations. The Journal of chemical physics 153 (11) (2020)
Irina Yu Grubova, Maria A Surmeneva, Roman A Surmenev, Erik C Neyts
Effect of van der Waals interactions on the adhesion strength at the interface of the hydroxyapatite-titanium biocomposite: a first-principles study. RSC advances 10 (62) (2020)
Kristof M Bal, Annemie Bogaerts, Erik C Neyts
Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium. The journal of physical chemistry letters 11 (2) (2019)
Kristof M Bal, Erik C Neyts
Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches. Physical chemistry chemical physics : PCCP 20 (13) (2018)
Samira Dabaghmanesh, Nasrin Sarmadian, Erik C Neyts, Bart Partoens
A first principles study of p-type defects in LaCrO3. Physical chemistry chemical physics : PCCP 19 (34) (2018)
Umedjon Khalilov, Annemie Bogaerts, B Xu, T Kato, T Kaneko, Erik C Neyts
How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching. Nanoscale 9 (4) (2018)
Mahdi Shirazi, Annemie Bogaerts, Erik C Neyts
A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics. Physical chemistry chemical physics : PCCP 19 (29) (2018)
D U B Aussems, Kristof M Bal, T W Morgan, M C M van de Sanden, Erik C Neyts
Atomistic simulations of graphite etching at realistic time scales. Chemical science 8 (10) (2017)
Maksudbek Yusupov, Kristian Wende, S Kupsch, Erik C Neyts, S Reuter, Annemie Bogaerts
Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments. Scientific reports 7 (1) (2017)
Kristof M Bal, Erik C Neyts
Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations. Chemical science 7 (8) (2016)
Umedjon Khalilov, Annemie Bogaerts, Erik C Neyts
Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors. Nature communications 6 (2015)
Jonas Van der Paal, Erik C Neyts, Christof C W Verlackt, Annemie Bogaerts
Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress. Chemical science 7 (1) (2015)