| Designing Electrophilic and Nucleophilic Dual Centers in the ReS2 Plane toward Efficient Bifunctional Catalysts for Li-CO2 Batteries | |
| Chen, Biao1,2; Wang, Dashuai1,2; Tan, Junyang1,2; Liu, Yingqi1,2; Jiao, Miaolun1,2; Liu, Bilu1,2; Zhao, Naiqin3,4; Zou, Xiaolong1,2; Zhou, Guangmin1,2; Cheng, Hui-Ming1,2,5,6 | |
| Corresponding Author | Zou, Xiaolong(xlzou@sz.tsinghua.edu.cn) ; Zhou, Guangmin(guangminzhou@sz.tsinghua.edu.cn) ; Cheng, Hui-Ming(hmcheng@sz.tsinghua.edu.cn) |
| 2022-02-23 | |
| Source Publication | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
 |
| ISSN | 0002-7863 |
| Volume | 144Issue:7Pages:3106-3116 |
| Abstract | Two- dimensional transition metal dichalcogenides (TMDCs) show great potential as efficient catalysts for Li-CO2 batteries. However, the basal plane engineering on TMDCs toward bifunctional catalysts for Li-CO2 batteries is still poorly understood. In this work, density functional theory calculations reveal that nucleophilic N dopants and electrophilic S vacancies in the ReS2 plane tailor the interactions with Li atoms and C/O atoms in intermediates, respectively. The electrophilic and nucleophilic dual centers show suitable adsorption with all intermediates during discharge and charge, resulting in a small energy barrier for the rate-determining step. Thus, an efficient bifunctional catalyst is produced toward Li-CO2 batteries. As a result, the optimal catalyst achieves an ultrasmall voltage gap of 0.66 V and an ultrahigh energy efficiency of 81.1% at 20 mu A cm(-2), which is superior to those of previous catalysts under similar conditions. The introduction of electrophilic and nucleophilic dual centers provides new avenues for designing excellent bifunctional catalysts for Li-CO2 batteries. |
| Funding Organization | National Natural Science Foundation of China ; National Key Research and Development Program of China ; Tsinghua Shenzhen International Graduate School ; China Postdoctoral Science Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Innovative and Entrepreneurial Research Team Program |
| DOI | 10.1021/jacs.1c12096 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China[52072205] ; National Key Research and Development Program of China[2019YFA0705700] ; Tsinghua Shenzhen International Graduate School ; China Postdoctoral Science Foundation[2020TQ0159] ; China Postdoctoral Science Foundation[2020M680544] ; Guangdong Basic and Applied Basic Research Foundation[2020A1515110745] ; Guangdong Basic and Applied Basic Research Foundation[2020A1515110338] ; Guangdong Innovative and Entrepreneurial Research Team Program[2017ZT07C341] |
| WOS Research Area | Chemistry |
| WOS Subject | Chemistry, Multidisciplinary |
| WOS ID | WOS:000765779100031 |
| Publisher | AMER CHEMICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/173111 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Zou, Xiaolong; Zhou, Guangmin; Cheng, Hui-Ming |
| Affiliation | 1.Tsinghua Univ, Shenzhen Geim Graphene Ctr, Berkeley Shenzhen Inst, Shenzhen 518055, Peoples R China 2.Tsinghua Univ, Tsinghua Shenzhen Int Grad Sch, Shenzhen 518055, Peoples R China 3.Tianjin Univ, Sch Mat Sci & Engn, Tianjin 300350, Peoples R China 4.Tianjin Univ, Tianjin Key Lab Composite & Funct Mat, Tianjin 300350, Peoples R China 5.Chinese Acad Sci, Shenzhen Inst Adv Technol, Inst Technol Carbon Neutral, Shenzhen 518055, Peoples R China 6.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Chen, Biao,Wang, Dashuai,Tan, Junyang,et al. Designing Electrophilic and Nucleophilic Dual Centers in the ReS2 Plane toward Efficient Bifunctional Catalysts for Li-CO2 Batteries[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2022,144(7):3106-3116. |
| APA | Chen, Biao.,Wang, Dashuai.,Tan, Junyang.,Liu, Yingqi.,Jiao, Miaolun.,...&Cheng, Hui-Ming.(2022).Designing Electrophilic and Nucleophilic Dual Centers in the ReS2 Plane toward Efficient Bifunctional Catalysts for Li-CO2 Batteries.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,144(7),3106-3116. |
| MLA | Chen, Biao,et al."Designing Electrophilic and Nucleophilic Dual Centers in the ReS2 Plane toward Efficient Bifunctional Catalysts for Li-CO2 Batteries".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144.7(2022):3106-3116. |
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