Boosting bidirectional sulfur conversion enabled by introducing boron-doped atoms and phosphorus vacancies in Ni_(2)P for lithium-sulfur batteries  

作　　者：Lin Peng Yu Bai Hang Li Meixiu Qu Zhenhua Wang Kening Sun 

机构地区：[1]Advanced Research Institute of Multidisciplinary Science,Beijing Institute of Technology,Beijing 100081,China [2]Beijing Key Laboratory of Chemical Power Source and Green Catalysis,School of Chemistry and Chemical Engineering,Beijing Institute of Technology,Beijing 100081,China

出　　处：《Journal of Energy Chemistry》2025年第1期760-769,共10页能源化学(英文版)

基　　金：Institute of Technology Research Fund Program for Young Scholars;21C Innovation Laboratory Contemporary Amperex Technology Co.,Limited,Ninde, 352100, China (21C–OP-202314)。

摘　　要：Lithium-sulfur (Li-S) batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox dynamics.Herein,we supply a strategy to optimize the electron structure of Ni_(2)P by concurrently introducing B-doped atoms and P vacancies in Ni_(2)P (Vp-B-Ni_(2)P),thereby enhancing the bidirectional sulfur conversion.The study indicates that the simultaneous introduction of B-doped atoms and P vacancies in Ni_(2)P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides (LiPSs) as well as expediting the bidirectional conversion kinetics of sulfur species.Meanwhile,theoretical calculations reveal that the incorporation of B-doped atoms and P vacancies in Ni_(2)P selectively promotes Li2S dissolution and nucleation processes.Thus,the Li-S batteries with Vp-B-Ni_(2)P-separators present outstanding rate ability of 777 m A h g^(-1)at 5 C and high areal capacity of 8.03 mA h cm^(-2)under E/S of 5μL mg^(-1)and sulfur loading of 7.20 mg cm^(-2).This work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion.

关 键 词：B-doped atoms P vacancies Nickel phosphide Bidirectional sulfur conversion Lithium-sulfur batteries 

分 类 号：TM9[电气工程—电力电子与电力传动]