Deciphering the Modulation Essence of p Bands in Co-Based Compounds on Li-S Chemistry

By Jianbin Zhou, Xiaojing Liu, Linqin Zhu, Jie Zhou, Yong Guan, Liang Chen, Shuwen Niu, Jinyan Cai, Da-Wen Sun, Yongchun Zhu and 3 more. Joule, 2018

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Summary Despite the fact that metal-based compounds have been extensively used as sulfur cathode additives, large variations in electrochemical performance have been commonly observed from one material to another, which cannot be simply explained by the adsorption capability. Herein, we have systematically studied the kinetic behaviors of Li-S chemistry on Co-based compounds with fixed metal cation and varied non-metal anions, and deciphered the intrinsic modulation essence of the anions. Among the Co-based compounds, CoP exhibits the lowest overpotential for polysulfide transformation. Even at 40.0 C, S@CoP/rGO still delivers a high capacity of 417.3 mA hr g−1 and an unprecedented power density of 137.3 kW kg−1, representing the best rate performance. DFT analysis reveals that the performance variations mainly originate from the shift of p band centers, which modulate the interfacial electron transfer dynamics. This work could unlock the potential of band engineering for Li-S batteries and beyond.

Subfields: Electrical and Electronic Engineering, Industrial and Manufacturing Engineering

View Paper: https://www.semanticscholar.org/paper/3cf364dfc19caf22e500239a4e5536c240ca2381

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In Electrical and Electronic Engineering

Citations in the corpus

Adsorption energy engineering of nickel oxide hybrid nanosheets for high areal capacity flexible lithium-ion batteries (2020, background): “24 suggesting strong adhesiveness of bonding states and strengthening of the electronic interaction within the CF/ECF/NiO/CD matrix [49].”