DataVXACS Energy LettersPaper
journal article·2024-05-10

Uncovering the Geometry Activity of Spinel Oxides in Li-CO2 Battery Reactions

Yingqi Liu, Pengfei Shu, Mengtian Zhang, Biao Chen, Yanze Song, Bingyi Lu, Rui Mao, Qiong Peng, Guangmin Zhou, Hui-Ming Cheng

ACS Energy Letters· Volume 9· Issue 5
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Source abstract

Abstract

Oxide catalysts are attractive in Li-CO 2 batteries for their activity and stability. However, discerning the active sites and contributing factors for battery reactions is still challenging due to the presence of passive spectator species. Herein, we use Co 3 O 4 to uncover the geometry-dependent activity and propose the key parameters that govern reactions in the Li-CO 2 batteries. We find that octahedral Co plays a dominant role in promoting battery reaction kinetics due to its strong interaction with reactants. In particular, we investigate the correlations between the d-orbital configurations in octahedral sites and CO 2 activity, where low e g filling facilitates CO 2 –catalyst bonding. Therefore, catalysts containing octahedral Co, especially Co 3 O 4, show high activity and durability with a low overpotential of 1.0 V and a cycling life of 600 h. Our study exemplifies the role of local electronic and geometry structures in catalysis, which provides insight into catalyst design in Li-CO 2 batteries.
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Research context

Energy storageCatalysis & surfaces

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · MXene and MAX Phase Materials

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

Affiliations

Tsinghua-Berkeley Shenzhen Institute & Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, People’s Republic of China

College of Physics, Guizhou University, Guiyang 550025, People’s Republic of China

School of Materials Science and Engineering and Tianjin Key Laboratory of Composite and Functional Materials, Tianjin University, Tianjin 300350, People’s Republic of China

Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, People’s Republic of China

Shenzhen Key Lab of Energy Materials for Carbon Neutrality, Institute of Technology for Carbon Neutrality, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, People’s Republic of China

Shenzhen University of Advanced Technology, Shenzhen 518055, People’s Republic of China

Funding

Guangdong Provincial Introduction of Innovative Research and Development Team · Tsinghua Shenzhen International Graduate School · China Postdoctoral Science Foundation · Science, Technology and Innovation Commission of Shenzhen Municipality · National Natural Science Foundation of China · Shenzhen Stabilization Support Program

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