journal article·2023-08

Intrinsic Descriptor Guided Noble Metal Cathode Design for Li‐CO2 Battery

Chang Guo, Fuli Zhang, Xiao Han, Lipeng Zhang, Qian Hou, Lele Gong, Jincheng Wang, Zhenhai Xia, Jianhua Hao, Keyu Xie

Advanced Materials· Volume 35· Issue 33
Publisher page

Abstract

Abstract To date, the effect of noble metal (NM) electronic structures on CO2 reaction activity remains unknown, and explicit screening criteria are still lacking for designing highly efficient catalysts in CO2‐breathing batteries. Herein, by preferentially considering the decomposition of key intermediate Li2CO3, an intrinsic descriptor constituted of the orbital states and the electronegativity for predicting high‐performance cathode material are discovered. As a demonstration, a series of graphene‐supported noble metals (NM@G) as cathodes are fabricated via a fast laser scribing technique. Consistent with the preliminary prediction, Pd@G exhibits an ultralow overpotential (0.41 V), along with superior cycling performance up to 1400 h. Moreover, the overall thermodynamic reaction pathways on NM@G confirm the reliability of the established intrinsic descriptor. This basic finding of the relationship between the electronic properties of noble metal cathodes and the performance of Li‐CO2 batteries provides a novel avenue for designing remarkably efficient cathode materials for metal‐CO2 batteries.
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Research context

OpenAlex topics: Advancements in Battery Materials · Extraction and Separation Processes · Recycling and Waste Management Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

State Key Laboratory of Solidification Processing School of Materials Science and Engineering Northwestern Polytechnical University Xi'an 710072 P. R. China

Chongqing Innovation Center Northwestern Polytechnical University Chongqing 400799 P. R. China

College of Life Science and Technology Beijing University of Chemical Technology Beijing 100029 P. R. China

Department of Applied Physics The Hong Kong Polytechnic University Hong Kong 100872 P. R. China

State Key Laboratory of Organic‐Inorganic Composites College of Chemical Engineering Beijing University of Chemical Technology Beijing 100029 P. R. China

Australian Carbon Materials Centre School of Chemical Engineering University of New South Wales Sydney 2052 Australia

Funding

National Natural Science Foundation of China · National Key Research and Development Program of China · Fundamental Research Funds for the Central Universities

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