Oxygen hole states facilitated cleavage of Ni–O bonds in the rock-salt phase of a conversion-type anode

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Oxygen hole states facilitated cleavage of Ni–O bonds in the rock-salt phase of a conversion-type anode
Please use this identifier to cite or link to this item: https://oar.a-star.edu.sg/communities-collections/articles/22325
Title:
Oxygen hole states facilitated cleavage of Ni–O bonds in the rock-salt phase of a conversion-type anode
Journal Title:
Chemical Communications
DOI:
10.1039/d5cc00987a
Publication URL:
https://doi.org/10.1039/D5CC00987A
Authors:
Shengnan Sun, Jun Zhou, Debbie Hwee Leng Seng, Hui Ru Tan, Shibo Xi, Xiping Ni, Fengxia Wei, Poh Chong Lim, Ming Lin, Yi Ren, Shijie Wang, Zhi Wei Seh
Keywords:
Publication Date:
10 April 2025
Citation:
Sun, S., Zhou, J., Seng, D. H. L., Tan, H. R., Xi, S., Ni, X., Wei, F., Lim, P. C., Lin, M., Ren, Y., Wang, S., & Seh, Z. W. (2025). Oxygen hole states facilitated cleavage of Ni–O bonds in the rock-salt phase of a conversion-type anode. Chemical Communications, 61(37), 6815–6818. https://doi.org/10.1039/d5cc00987a
Abstract:
This work studies the influence of oxygen chemistry on the reduction potential in conversion-type NiO anodes in lithium-ion batteries and reveals that the hole states on oxygen are highly polarized and serve as a bridge that facilitates the reduction of Ni2+, representing a higher potential plateau associated with Ni–O bond cleavage.
License type:
Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
Funding Info:
This research / project is supported by the Agency for Science, Technology and Research (MTC Programmatic Fund M23L9b0052). - Physics and Knowledge Transfer-based Cognitive Digital Twin for Advanced Battery Analytics
Grant Reference no. : M23L9b0052

This research / project is supported by the Agency for Science, Technology and Research (A*STAR) - Low Carbon Energy Research Finding Initiative : Nanostructured Catalysts for Direct CO2 Hydrogenation to Higher Alcohols and Fuels
Grant Reference no. : LCERFI01-0033|U2102d2006

This research / project is supported by the Singapore National Research Foundation - National Research Foundation Investigatorship: Universal Design Principles for Multivalent-Ion Batteries (NRFI)
Grant Reference no. : NRF-000455-00/ Award No: NRF-NRFI09-0002

This research / project is supported by the Agency for Science, Technology and Research - Manufacturing, Trade, and Connectivity Programmatic Fund
Grant Reference no. : M23L9b0052
Description:
URI:
https://oar.a-star.edu.sg/communities-collections/articles/22325
ISSN:
1364-548X
Collections:
Institute of Materials Research and Engineering
Files uploaded:
https://doi.org/10.1039/D5CC00987A