Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst

doi:10.1039/d0ta05821a

CORC > 宁波材料技术与工程研究所 > 中国科学院宁波材料技术与工程研究所 > 2020专题

	Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst
	Li, Lei ; Guo, Haoran ; Yao, Ge ; Hu, Chenhui ; Liu, Chunhong ; Tian, Ziqi ; Li, Baihai ; Zhang, Qiuju ; Chen, Liang
刊名	JOURNAL OF MATERIALS CHEMISTRY A
	2020
卷号	8 期号:42 页码:22327-22334
关键词	HYDROGEN EVOLUTION REACTION TOTAL-ENERGY CALCULATIONS SINGLE-ATOM CATALYSTS OXYGEN REDUCTION CARBON-DIOXIDE ELECTROCHEMICAL REDUCTION ELECTROREDUCTION TRANSITION CU SURFACE
DOI	10.1039/d0ta05821a
英文摘要	Solar-driven reduction of CO2 into multi-carbon products plays a vital role in renewing CO2 utilization, while the key lies on screening efficient catalysts that possess moderate CO intermediate binding energy and eventually facilitate further C-C coupling to C2+ products. Herein, we proposed a synergistic coupling catalyst by anchoring the heteroatom B-Co dimer into porous C2N (B-Co@C2N) for photocatalytic CO2 reduction into ethane via applying first-principles calculations. The formation of the B-Co dimer can effectively modulate the Co-3d orbital toward lower energy levels, which weakens CO adsorption strength compared with Co-Co@C2N and leads to a low C-C coupling energy barrier of similar to 0.61 eV. The undesirable hydrogen evolution reaction is drastically suppressed due to the strong adsorption of the CO2/COOH intermediate with positive limiting potential difference of U-L(CO2)-U-L(H-2). More importantly, the light absorbance of B-Co@C2N is significantly enhanced in the visible and infrared light range compared with that of pure C2N. The high binding energy combined with the AIMD simulations ensured structural stability and feasibility for future experimental synthesis. Our proposed synergy concept of single metal atom and nonmetal atom hybrids is expected to open a new avenue toward photocatalytic CO2 reduction into multi-carbon products under visible light.
学科主题	Chemistry ; Energy & Fuels ; Materials Science
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/20347]
专题	2020专题
作者单位	1.Chen, L (corresponding author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China. 2.Zhang, QJ (corresponding author), Univ Elect Sci & Technol China, Sch Mat & Energy, Chengdu 611731, Sichuan, Peoples R China. 3.Zhang, QJ 4.Chen, L (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China. 5.Li, BH
推荐引用方式 GB/T 7714	Li, Lei,Guo, Haoran,Yao, Ge,et al. Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst[J]. JOURNAL OF MATERIALS CHEMISTRY A,2020,8(42):22327-22334.
APA	Li, Lei.,Guo, Haoran.,Yao, Ge.,Hu, Chenhui.,Liu, Chunhong.,...&Chen, Liang.(2020).Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst.JOURNAL OF MATERIALS CHEMISTRY A,8(42),22327-22334.
MLA	Li, Lei,et al."Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst".JOURNAL OF MATERIALS CHEMISTRY A 8.42(2020):22327-22334.