The volcanic relationship of model phthalocyanine molecular catalysts in the CO2 reduction reaction

被引：1

作者：

Wang, Jiangfang ^{[1
]}

Xu, Yang ^{[1
]}

Wei, Anqi ^{[1
]}

Reinhold, Julian Skagfjord ^{[2
]}

Wei, Lixin ^{[1
]}

Shi, Lei ^{[1
]}

Zhang, Yushuo ^{[1
]}

Wang, Chong ^{[1
]}

Zhang, Bo ^{[2
]}

Liu, Song ^{[1
]}

机构：

[1] Northeast Forestry Univ, Chem Engn & Resource Utilizat, Harbin 150040, Peoples R China

[2] Chinese Acad Sci, Dalian Inst Chem Phys, CAS Key Lab Sci & Technol Appl Catalysis, Dalian 116023, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2025年 / 27卷 / 04期

基金：

中国国家自然科学基金;

关键词：

HYDROGEN ELECTROCATALYSIS; ATOM; SELECTIVITY; EVOLUTION; PLOTS;

D O I：

10.1039/d4cp03912b

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have constructed a series of model metal phthalocyanines (MPc) for the carbon dioxide reduction reaction (CO2RR), constructed a volcano relationship through density functional theory (DFT) and experiments, and obtained cobalt phthalocyanine (CoPc) at the apex. The volcano diagram is conducive to the screening of catalysts and has a guiding role in the design of catalysts.

引用

页码：1784 / 1788

页数：5

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