A. P. Bavel

发表

Combining density-functional calculations with kinetic models: NO/Rh(111)

A. Jansen, J. Niemantsverdriet, J. Lukkien, 2003 .

Formation of chiral domains for tartaric acid on Cu(110): A combined dft and kinetic Monte Carlo study

A. Jansen, P. Sautet, R. A. Santen, 2004 .

CO Activation on Realistic Cobalt Surfaces: Kinetic Role of Hydrogen

M. Saeys, A. Banerjee, A. P. Bavel, 2017 .

Microwave-assisted conversion of methane over H-(Fe)-ZSM-5: Evidence for formation of hot metal sites

D. Bhattacharyya, Jianli Hu, V. Abdelsayed, 2021 .

Simulating temperature programmed desorption directly from density functional calculations: how adsorbate configurations relate to desorption features

J. Niemantsverdriet, D. Ferré, A. P. Bavel, 2005 .

Ethylene decomposition on Rh(100): theory and experiment

J. Niemantsverdriet, D. Ferré, D. Nieskens, 2004 .

Active oxygen center in oxidative coupling of methane on La2O3 catalyst

Yong Yang, Shenggang Li, A. P. Bavel, 2021 .

Kinetic study of thermocatalytic decomposition of methane over nickel supported catalyst in a fluidized bed reactor

A. P. Bavel, K. A. Buist, A. Bos, 2022, Chemical Engineering Science.

Non-oxidative methane coupling over silica versus silica-supported iron(II) single sites.

A. Horton, M. Walter, C. Copéret, 2020, Chemistry.

The analysis of temperature programmed desorption experiments of systems with lateral interactions; implications of the compensation effect

J. Niemantsverdriet, D. Nieskens, A. P. Bavel, 2003 .

CO adsorption on cobalt: Prediction of stable surface phases

M. Saeys, A. P. Bavel, H. Kuipers, 2015 .

Key Role of Surface Hydroxyl Groups in C–O Activation during Fischer–Tropsch Synthesis

M. Saeys, A. P. Bavel, H. Kuipers, 2016 .

Origin of the Formation of Nanoislands on Cobalt Catalysts during Fischer–Tropsch Synthesis

M. Saeys, A. Banerjee, A. P. Bavel, 2015 .

Modelling the butterfly: (3×7) ordering on fcc(1 1 1) surfaces

A. Jansen, J. Lukkien, R. A. Santen, 2004 .

Quantification of lateral repulsion between coadsorbed CO and N on Rh(100) using temperature-programmed desorption, low-energy electron diffraction, and Monte Carlo simulations

J. Niemantsverdriet, J. Lukkien, P. Hilbers, 2003 .

Evaluating the Reactivity of BiVO4 Surfaces for Efficient Electrocatalytic H2O2 Production: A Combined Experimental and Computational Study

D. Khushalani, A. P. Bavel, S. Shetty, 2020 .

Quantifying methane vibrational and rotational temperature with Raman scattering

V. Boudon, C. Richard, A. P. Bavel, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

How CO2 poisons La2O3 in an OCM catalytic reaction: A study by in situ XRD-MS and DFT

Jie Hao, Jun Zhang, Cairu Guan, 2021 .

Quantifying lateral adsorbate interactions by kinetic Monte-Carlo simulations and density-functional theory: NO dissociation on Rh(100)

Paj Peter Hilbers, A. Jansen, J. Niemantsverdriet, 2004 .

Structure Sensitivity of Silver-Catalyzed Ethylene Epoxidation

E. Hensen, A. P. Bavel, A. V. van Bavel, 2019, ACS Catalysis.

Understanding lanthanum oxide surface structure by DFT simulation of oxygen 1s calibrated binding energy in XPS after in situ treatment

Cairu Guan, Yong Yang, Sheng-Yi Li, 2021, Applied Surface Science.