Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Yaqing Wang, Tonghao Shen, Yuqi Yang, Xin Xu
DOI: 10.5281/zenodo.18728312
Cited by: 1

Abstract

This is the dataset for the following publication: Yaqing Wang, Tonghao Shen, Yuqi Yang, Xin Xu, "Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces" It contains the following files: - POSCAR files for all DFT calculations.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
22 February 2026
Document type
Dataset