First-principles screening of TM@C 4 N 4 single-atom catalysts for lithium–sulfur batteries
Abstract
Single-atom catalysts (SACs) can regulate both polysulfide adsorption and sulfur-conversion kinetics in lithium–sulfur batteries, yet their structure–function relationships remain insufficiently compared at the atomic level.
Fields of Study & Subjects
Advanced Battery Materials and Technologies
Advancements in Battery Materials
Thermal Expansion and Ionic Conductivity
Publication details
- Journal / source
- New Journal of Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 50
- Issue
- 17
- Pages
- 7302–7311
- Publication date
- 1 January 2026
- Language
- EN