Frustrated Lewis pairs photocatalyst for visible light-driven reduction of CO to multi-carbon chemicals

doi:10.1039/c9nr07559c

IMR OpenIR

	Frustrated Lewis pairs photocatalyst for visible light-driven reduction of CO to multi-carbon chemicals
	Chen, Zhe 1,2,3; Zhao, Jia 2,3; Zhao, Jingxiang 2,3; Chen, Zhongfang 4; Yin, Lichang 1
通讯作者	Zhao, Jingxiang(xjz_hmily@163.com) ; Chen, Zhongfang(zhongfangchen@gmail.com) ; Yin, Lichang(lcyin@imr.ac.cn)
	2019-11-21
发表期刊	NANOSCALE
ISSN	2040-3364
卷号	11 期号:43 页码:20777-20784
摘要	Photocatalytic reduction of carbon monoxide (CO), an increasingly available and low-cost feedstock that could benefit from CO2 reduction, to high value-added multi-carbon chemicals, is significant for desirable carbon cycling, as well as high efficiency conversion and high density storage of solar energy. However, developing low cost but highly active photocatalysts with long-term stability for CO coupling and reduction remains a great challenge. Herein, by density functional theory (DFT) computations and taking advantage of the frustrated Lewis pairs (FLPs) concept, we identified a complex consisting of single boron (B) atom decorated on the optically active C2N monolayer (i.e., B/C2N) as an efficient and stable photocatalyst for CO reduction. On the designed B/C2N catalyst, CO can be efficiently reduced to ethylene (C2H4) and propylene (C3H6) both with a free energy increase of 0.22 eV for the potential-determining step, which greatly benefits from the pull-push function of the B-N FLPs composed of the decorating B atom and host N atoms. Moreover, the newly designed B/C2N catalyst shows significant visible light absorption with a suitable band position for CO reduction to C2H4 and C3H6. All these unique features make the B/C2N photocatalyst an ideal candidate for visible light driven CO reduction to high value-added multi-carbon fuels and chemicals.
资助者	National Natural Science Foundation of China (NSFC) ; Natural Science Funds for Distinguished Young Scholar of Heilongjiang Province ; NSF-CREST Center for Innovation, Research and Education in Environmental Nanotechnology (CIRE2N)
DOI	10.1039/c9nr07559c
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China (NSFC)[51972312] ; National Natural Science Foundation of China (NSFC)[51472249] ; Natural Science Funds for Distinguished Young Scholar of Heilongjiang Province[JC2018004] ; NSF-CREST Center for Innovation, Research and Education in Environmental Nanotechnology (CIRE2N)[HRD-1736093]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000502779900039
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：44[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/136451
专题	中国科学院金属研究所
通讯作者	Zhao, Jingxiang; Chen, Zhongfang; Yin, Lichang
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Harbin Normal Univ, Coll Chem & Chem Engn, Harbin 150025, Heilongjiang, Peoples R China 3.Harbin Normal Univ, Minist Educ, Key Lab Photon & Elect Bandgap Mat, Harbin 150025, Heilongjiang, Peoples R China 4.Univ Puerto Rico, Dept Chem, Rio Piedras Campus, San Juan, PR 00931 USA
推荐引用方式 GB/T 7714	Chen, Zhe,Zhao, Jia,Zhao, Jingxiang,et al. Frustrated Lewis pairs photocatalyst for visible light-driven reduction of CO to multi-carbon chemicals[J]. NANOSCALE,2019,11(43):20777-20784.
APA	Chen, Zhe,Zhao, Jia,Zhao, Jingxiang,Chen, Zhongfang,&Yin, Lichang.(2019).Frustrated Lewis pairs photocatalyst for visible light-driven reduction of CO to multi-carbon chemicals.NANOSCALE,11(43),20777-20784.
MLA	Chen, Zhe,et al."Frustrated Lewis pairs photocatalyst for visible light-driven reduction of CO to multi-carbon chemicals".NANOSCALE 11.43(2019):20777-20784.