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Updated: Jun 8, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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在Co-N-C原子接口上调整质子亲和力,以解活动-选择性权衡在酸性氧降低到H2O2

Shanyong Chen1,2,3, Tao Luo1, Jingyu Wang2

  • 1Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, State Key Laboratory of Powder Metallurgy, School of Physics, Central South University, 410083, Changsha, China.

Angewandte Chemie (International ed. in English)
|November 5, 2024
PubMed
概括

研究人员开发了一种新的催化剂 (Co1-NBC),它打破了两电子氧降解反应 (2e-ORR) 中的活性-选择性权衡. 这种添加剂的催化剂增强了H2O2的产生,在酸性介质中具有高活性和选择性.

关键词:
活动性和选择性.过氧化电合成 过氧化电合成减少氧气减少氧气质子亲和关系是质子亲和关系.单个原子催化剂的催化剂.

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