Regensburg 2025 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: Poster Session II

CPP 32.17: Poster

Donnerstag, 20. März 2025, 09:30–12:00, P3

Steering sulfur reduction kinetics of lithium-sulfur batteries by interfacial microenvironment modulation — •Cheng Yuan^1,2, Liang Zhang², and Peter Müller-Buschbaum¹ — ¹TUM School of Natural Sciences, Chair for Functional Materials, 85748 Garching, Germany — ²Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou 215123, China

Catalytic conversion of lithium polysulfides (LiPSs) is considered as an effective avenue to suppress the shuttle effect of lithium-sulfur (Li-S) batteries, for which the interfacial microenvironment constructed by the interaction between electrocatalysts and LiPSs plays a pivotal role in modulating the sulfur reduction kinetics. However, most of previous reports mainly focused on modulating the band structure of electrocatalysts or LiPSs alone to enhance the catalytic activity rather than considering the interfacial microenvironment as a whole. Herein, we propose a binary descriptor composed of the energy difference between d-band of electrocatalysts and p-band of LiPSs (ΔεM-S) and the antibonding filling degree (εABF), which capture the energy band contributions from both electrocatalysts and LiPSs, to reveal the influence of interfacial microenvironment on sulfur reduction kinetics. Among different designed electrocatalysts, NiO presents a moderate LiPSs anchoring capacity and rapid electron transfer kinetics owing to the optimal ΔεM-S and decreased εABF after interacting with LiPSs, which lead to a robust interfacial microenvironment and thus guarantee a continuous catalytic conversion of LiPSs in the long-term cycling.

Keywords: Li-S batteries; electrocatalysts; sulfur reduction kinetics; interfacial microenvironment; polysulfide catalytic conversion