Mapping the catalytic landscape of doped Pd(111) for formic acid synthesis via CO 2 hydrogenation using first-principles, microkinetics, and SISSO descriptors

Journal of Materials Chemistry A 2026

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Authors: Zhihong Zhang, Qingbo Wang, Feifeng Wu, Jiaqiang Yang, Yi Yu, Aimin Zhang, Bin Shan

DOI: 10.1039/d5ta09756h

Cited by: 1

References: 49

Abstract

The DFT–microkinetics–SISSO framework reveals dopant-dependent activity and selectivity trends in Pd(111)-catalyzed CO 2 hydrogenation.

Carbon dioxide utilization in catalysis CO2 Reduction Techniques and Catalysts Catalysis for Biomass Conversion

References 49