费托法
催化作用
合成气
密度泛函理论
碳氢化合物
合金
选择性
化学工程
化学
Atom(片上系统)
材料科学
纳米技术
物理化学
计算化学
有机化学
嵌入式系统
工程类
计算机科学
作者
Ge Meng,Jiaqiang Sun,Tao Lei,Kaiyue Ji,Pengfei Wang,Yu Wang,Xiaohui Sun,Tingting Cui,Shixuan Du,Jiangang Chen,Dingsheng Wang,Yadong Li
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2021-01-28
卷期号:11 (3): 1886-1896
被引量:82
标识
DOI:10.1021/acscatal.0c04162
摘要
Fischer–Tropsch synthesis (FTS) is a significant catalytic process for the production of liquid fuel and fine chemicals from natural gas-, coal-, and biomass-derived syngas. However, exploring high-performance catalysts and understanding the catalytic mechanism remain challenging. Herein, we design a Ru1Con single-atom alloy (SAA) catalyst with isolated Ru atoms anchored onto a Co nanoparticle surface through a two-dimensional confinement strategy to achieve greatly improved FTS activity (2.6 molCO molM–1 h–1) and long-chain hydrocarbon selectivity (C5+: 86.0%) at a low reaction temperature of 150 °C. A series of in situ experiments, catalytic tests, and density functional theory (DFT) calculations reveal that the Ru single-atom sites in Ru1Con SAA are more active for the FTS reaction than pure Ru and Co surfaces. This is because single-atom Ru with a much higher electronic density near the Fermi level could effectively and simultaneously decrease the rate-limiting barriers of both C–O splitting and chain growth processes. This work demonstrates the possibility of designing Ru single-atom sites to improve FTS performance and provides a deeper understanding of the strategy for developing other high-performance industrial catalysts.
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