Coordination-tuned Ru single-atom catalyst for efficient catalysis of CO 2 to CH 4 on RuB x N 4-x @TiN (x=0-4)

被引：2

作者：

Pan, Junhui ^{[1
]}

Kong, Yuehua ^{[1
]}

Li, Yi ^{[1
,2
]}

Zhang, Yongfan ^{[1
,2
]}

Lin, Wei ^{[1
,2
]}

机构：

[1] Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China

[2] Xiamen Univ, Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China

来源：

JOURNAL OF CO2 UTILIZATION | 2024年 / 84卷

基金：

中国国家自然科学基金;

关键词：

TiN; CO2; reduction; Lewis acid sites; Density functional theory; Coordination-tuned; DENSITY-FUNCTIONAL THEORY; ELECTROCHEMICAL REDUCTION; TITANIUM NITRIDE; CONVERSION; EVOLUTION;

D O I：

10.1016/j.jcou.2024.102849

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Creating useful chemicals or fuels from CO 2 is one of the most promising ways to reach carbon neutral. In this work, through the formation of Lewis acid sites, a string of boron-atom-coordinated Ru single -atom catalysts (SACs), namely RuB x N 4-x @TiN (x=0 - 4), were constructed, and their CO 2 reduction reaction (CO 2 RR) was systematically studied. The results show that o -RuB 2 N 2 @TiN, p -RuB 2 N 2 @TiN, and RuB 3 N 1 @TiN are able to efficiently inhibit the competitive hydrogen evolution reaction (HER) and activate CO 2 , with a potentialdetermining step lower than 0.7 eV and high selectivity for CH 4 generation. This work shows that the synergistic effect of B and Ru atoms are able to effectively improve the catalytic activity, which is expected to offer a possible tactic for the sensible creation of effective CO 2 RR catalysts.

引用

页数：9

共 57 条

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