Understanding the charge transfer effects of single atoms for boosting the performance of Na-S batteries

Yao-Jie Lei, Xinxin Lu, Hirofumi Yoshikawa, Daiju Matsumura, Yameng Fan, Lingfei Zhao, Jiayang Li, Shijian Wang, Qinfen Gu, Hua-Kun Liu, Shi-Xue Dou, Shanmukaraj Devaraj, Teofilo Rojo, Wei-Hong Lai (), Michel Armand (), Yun-Xiao Wang () and Guoxiu Wang ()
Additional contact information
Yao-Jie Lei: University of Wollongong, Innovation Campus
Xinxin Lu: University of Wollongong, Innovation Campus
Hirofumi Yoshikawa: Kwansei Gakuin University, 2-1 Gakuen
Daiju Matsumura: Kwansei Gakuin University, 2-1 Gakuen
Yameng Fan: University of Wollongong, Innovation Campus
Lingfei Zhao: University of Wollongong, Innovation Campus
Jiayang Li: University of Wollongong, Innovation Campus
Shijian Wang: University of Technology Sydney
Qinfen Gu: Australian Synchrotron 800 Blackburn Road
Hua-Kun Liu: University of Shanghai for Science and Technology
Shi-Xue Dou: University of Shanghai for Science and Technology
Shanmukaraj Devaraj: Centre for Cooperative Research on Alternative Energies (CIC EnergiGUNE) Basque Research and Technology Alliance (BRTA) Alava Technology Park Albert Einstein 48
Teofilo Rojo: University of the Basque Country UPV/EHU
Wei-Hong Lai: University of Wollongong, Innovation Campus
Michel Armand: Centre for Cooperative Research on Alternative Energies (CIC EnergiGUNE) Basque Research and Technology Alliance (BRTA) Alava Technology Park Albert Einstein 48
Yun-Xiao Wang: University of Wollongong, Innovation Campus
Guoxiu Wang: University of Technology Sydney

Nature Communications, 2024, vol. 15, issue 1, 1-12

Abstract: Abstract The effective flow of electrons through bulk electrodes is crucial for achieving high-performance batteries, although the poor conductivity of homocyclic sulfur molecules results in high barriers against the passage of electrons through electrode structures. This phenomenon causes incomplete reactions and the formation of metastable products. To enhance the performance of the electrode, it is important to place substitutable electrification units to accelerate the cleavage of sulfur molecules and increase the selectivity of stable products during charging and discharging. Herein, we develop a single-atom-charging strategy to address the electron transport issues in bulk sulfur electrodes. The establishment of the synergistic interaction between the adsorption model and electronic transfer helps us achieve a high level of selectivity towards the desirable short-chain sodium polysulfides during the practical battery test. These finding indicates that the atomic manganese sites have an enhanced ability to capture and donate electrons. Additionally, the charge transfer process facilitates the rearrangement of sodium ions, thereby accelerating the kinetics of the sodium ions through the electrostatic force. These combined effects improve pathway selectivity and conversion to stable products during the redox process, leading to superior electrochemical performance for room temperature sodium-sulfur batteries.

Date: 2024
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DOI: 10.1038/s41467-024-47628-3

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