How Effective Are Single Atom Catalysts for Co2 Reduction to C2 Products: A High Throughput Computational Screening

New journal of chemistry（2023）

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摘要

First principles-based simulations to investigate the catalytic activity of 27 different SACs for CO2 conversion to ethene and ethanol.

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关键词

Heterogeneous Catalysis,Computational Chemistry,Catalysis,High-Throughput

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