Data for "A Geometric-Electronic Principle for Curvature-Driven Catalysis"

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

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Authors: Meijie Wang, Yuxing Lin, Zhulin Huang, Yang Sun, Shunqing Wu, Xinrui Cao
DOI: 10.5281/zenodo.18823121
Cited by: 0

Abstract

Complete dataset for "A Geometric-Electronic Principle for Curvature-Driven Catalysis", including VASP calculation outputs (WAVECAR, DOSCAR) and exported dz² orbital probability densities for curvature-controlled FeN4 single-atom catalysts.

Fields of Study & Subjects

Catalytic Processes in Materials Science Electrocatalysts for Energy Conversion Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
1 March 2026
Language
EN
Document type
Dataset