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Updated: Jul 11, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Published on: April 10, 2018

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在过渡金属的清洁和预吸收低指数表面上对CO2激活的比较理论研究

Yin-Ping Ma1, Gui-Chang Wang2,3

  • 1Frontiers Science Center for New Organic Matter, Tianjin Key Lab and Molecule-Based Material Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.

Journal of molecular modeling
|November 14, 2023
PubMed
概括

显著增强二氧化碳 (CO2) 吸附和激活过渡金属通过增加结合强度和降低能量障碍. 这种由电子转移和双极相互作用驱动的效应类似于应用负电场.

关键词:
有关二氧化碳的激活在 DFT 方面,它是最重要的.添加剂是一种添加剂.过渡金属是一种过渡金属.

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