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Updated: Jan 29, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

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和铜在C-H激活和碳化物化学中的作用:对过渡金属的基于描述器的比较分析

Sasha Gazzari-Jara1, Olivier Aroule2, Guillaume Hoffmann2

  • 1QTC, Departamento de Química Física, Pontificia Universidad Católica de Chile, Avenida Vicuña Mackenna, Santiago 4860, Chile.

The journal of physical chemistry. A
|January 27, 2026
PubMed
概括

这项研究使用概念密度功能理论 (CDFT) 来分析金属碳化物,发现特定的电子描述器有效预测和铜催化剂的C-H激活反应中的反应性.

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