| Toward an Understanding of the Reversible Li-CO2 Batteries over Metal-N-4-Functionalized Graphene Electrocatalysts | |
| Liu, Yingqi1,2; Zhao, Shiyong3,4; Wang, Dashuai1,2; Chen, Biao1,2; Zhang, Zhiyuan1,2; Sheng, Jinzhi1,2; Zhong, Xiongwei1,2; Zou, Xiaolong1,2; Jiang, San Ping3,4; Zhou, Guangmin1,2; Cheng, Hui-Ming5,6 | |
| Corresponding Author | Jiang, San Ping(s.jiang@curtin.edu.au) ; Zhou, Guangmin(guangminzhou@sz.tsinghua.edu.cn) ; Cheng, Hui-Ming(hm.cheng@siat.ac.cn) |
| 2021-12-17 | |
| Source Publication | ACS NANO
 |
| ISSN | 1936-0851 |
| Pages | 10 |
| Abstract | 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. |
| Keyword | graphene single atom catalyst metal-N-4 moieties catalyst Li-CO2 batteries |
| Funding Organization | 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 |
| DOI | 10.1021/acsnano.1c10007 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 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 Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| WOS Subject | Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
| WOS ID | WOS:000734062500001 |
| Publisher | AMER CHEMICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/167263 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Jiang, San Ping; Zhou, Guangmin; Cheng, Hui-Ming |
| Affiliation | 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 |
| Recommended Citation 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. |
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