Toward an Understanding of the Reversible Li-CO2 Batteries over Metal-N-4-Functionalized Graphene Electrocatalysts

doi:10.1021/acsnano.1c10007

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	Toward an Understanding of the Reversible Li-CO2 Batteries over Metal-N-4-Functionalized Graphene Electrocatalysts
	Liu, Yingqi 1,2; Zhao, Shiyong 3,4; Wang, Dashuai 1,2; Chen, Biao 1,2; Zhang, Zhiyuan 1,2; Sheng, Jinzhi 1,2; Zhong, Xiongwei 1,2; Zou, Xiaolong 1,2; Jiang, San Ping 3,4; Zhou, Guangmin 1,2
刊名	ACS NANO
	2021-12-17
页码	10
关键词	graphene single atom catalyst metal-N-4 moieties catalyst Li-CO2 batteries
ISSN号	1936-0851
DOI	10.1021/acsnano.1c10007
通讯作者	Jiang, San Ping(s.jiang@curtin.edu.au) ; Zhou, Guangmin(guangminzhou@sz.tsinghua.edu.cn) ; Cheng, Hui-Ming(hm.cheng@siat.ac.cn)
英文摘要	The lack of low-cost catalysts with high activity leads to the unsatisfactory electrochemical performance of Li-CO2 batteries. Single-atom catalysts (SACs) with metal-N-x moieties have great potential to improve battery reaction kinetics and cycling ability. However, how to rationally select and develop highly efficient electrocatalysts remains unclear. Herein, we used density functional theory (DFT) calculations to screen SACs on N-doped graphene (SAMe@NG, Me = Cr, Mn, Fe, Co, Ni, Cu) for CO2 reduction and evolution reaction. Among them, SACr@NG shows the promising potential as an effective electrocatalyst for the reversible Li-CO2 batteries. To verify the validity of the DFT calculations, a two-step method has been developed to fabricate SAMe@NG on a porous carbon foam (SAMe@NG/PCF) with similar loading of similar to 8 wt %. Consistent with the theoretical calculations, batteries with the SACr@NG/PCF cathodes a superior rate performance and cycling ability, with a long cycle life and a narrow voltage gap of 1.39 V over 350 cycles at a rate of 100 mu A cm(-2). This work not only demonstrates a principle for catalysts selection for the reversible Li-CO2 batteries but also a controllable synthesis method for single atom catalysts.
资助项目	National Natural Science Foundation of China[52072205] ; Tsinghua Shenzhen International Graduate School ; Overseas Research Cooperation Fund of Tsinghua Shenzhen International Graduate School ; China Postdoctoral Science Foundation[2020TQ0159]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000734062500001
资助机构	National Natural Science Foundation of China ; Tsinghua Shenzhen International Graduate School ; Overseas Research Cooperation Fund of Tsinghua Shenzhen International Graduate School ; China Postdoctoral Science Foundation
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/167262]
专题	金属研究所_中国科学院金属研究所
通讯作者	Jiang, San Ping; Zhou, Guangmin; Cheng, Hui-Ming
作者单位	1.Tsinghua Univ, Shenzhen Geim Graphene Ctr, Tsinghua Berkeley Shenzhen Inst, Shenzhen 518055, Peoples R China 2.Tsinghua Univ, Tsinghua Shenzhen Int Grad Sch, Shenzhen 518055, Peoples R China 3.Curtin Univ, Fuels & Energy Technol Inst, Perth, WA 6102, Australia 4.Curtin Univ, WA Sch Mines Minerals Energy & Chem Engn, Perth, WA 6102, Australia 5.Chinese Acad Sci, Shenzhen Inst Adv Technol, Shenzhen 518055, Peoples R China 6.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Liu, Yingqi,Zhao, Shiyong,Wang, Dashuai,et al. Toward an Understanding of the Reversible Li-CO2 Batteries over Metal-N-4-Functionalized Graphene Electrocatalysts[J]. ACS NANO,2021:10.
APA	Liu, Yingqi.,Zhao, Shiyong.,Wang, Dashuai.,Chen, Biao.,Zhang, Zhiyuan.,...&Cheng, Hui-Ming.(2021).Toward an Understanding of the Reversible Li-CO2 Batteries over Metal-N-4-Functionalized Graphene Electrocatalysts.ACS NANO,10.
MLA	Liu, Yingqi,et al."Toward an Understanding of the Reversible Li-CO2 Batteries over Metal-N-4-Functionalized Graphene Electrocatalysts".ACS NANO (2021):10.