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DOI	10.1016/j.scib.2021.02.025
	Photocatalytic conversion of CO to fuels with water by B-doped graphene/g-C3N4 heterostructure
	Shi L.; Zhou Z.; Zhang Y.; Ling C.; Li Q.; Wang J.
发表日期	2021
ISSN	20959273
起始页码	1186
结束页码	1193
卷号	66 期号:12
英文摘要	Photocatalytic reduction of carbon monoxide (CO) is a promising route to the production of high-value chemicals and fuels, as a supplement to high energy-input Fischer-Tropsch synthesis (FTS) and a key step in direct photo/electro-reduction CO2 to multi-carbon products. However, many current research efforts for high-efficiency FTS/CO2 reduction mainly focus on the metal-based catalysts, while metal-free and solar-driven photocatalysts are rarely explored. Here, by means of Lewis acid sites, a metal-free composite photocatalyst for CO reduction, namely boron (B) doped-graphene/g-C3N4 heterostructure, is proposed. First-principles calculations show that the dopants (B) as catalytic sites can effectively capture and activate CO molecules and reduce CO to CH3OH and CH4 in different doping content. It is worth noting that C2 products, i.e., C2H5OH, can be produced with low free energy barriers on para-doped graphene/g-C3N4. Meanwhile, the competitive hydrogen evolution reaction (HER) can be greatly suppressed, leading to the high selectivity of CO reduction. Moreover, the formation of a built-in electric field in heterostructure enhances the separation of photogenerated electrons and holes, which further accelerates the transmission of photogenerated electrons to the catalytic sites and improves the reaction efficiency. Overall, this work not only proposes a new strategy from a new perspective to solve problems of high energy consumption and low selectivity of FTS, but also provides a tandem strategy to solve problems of CO2 to multi-carbon products. © 2021 Science China Press
关键词	2D heterostructure First-principles calculations Fischer-Tropsch synthesis Photocatalyst
英文关键词	Carbon dioxide; Carbon monoxide; Electric fields; Energy utilization; Fischer-Tropsch synthesis; Free energy; Graphene; Photocatalysts; % reductions; 2d heterostructure; Carbon products; Catalytic sites; First principle calculations; Fischer Tropsch; Metal free; OH$+-$; Photogenerated electrons; Tropsch synthesis; Calculations
语种	英语
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/207549
作者单位	School of Physics, Southeast University, Nanjing, 211189, China
推荐引用方式 GB/T 7714	Shi L.,Zhou Z.,Zhang Y.,et al. Photocatalytic conversion of CO to fuels with water by B-doped graphene/g-C3N4 heterostructure[J],2021,66(12).
APA	Shi L.,Zhou Z.,Zhang Y.,Ling C.,Li Q.,&Wang J..(2021).Photocatalytic conversion of CO to fuels with water by B-doped graphene/g-C3N4 heterostructure.Science Bulletin,66(12).
MLA	Shi L.,et al."Photocatalytic conversion of CO to fuels with water by B-doped graphene/g-C3N4 heterostructure".Science Bulletin 66.12(2021).