◆ Physical Chemistry Chemical Physics2026-01-01· MXenes
DFT insights into the stability of single-metal-atoms on Mo-based <i>o</i> -MXenes driven by the ligand effect
Kai-Yin Wu, Ziyang Feng, Zhi Li, Hazar Guesmi, L. Piccolo, Li-Xin Chen, Chao Su, Beibei Xiao
原始摘要（英文原文）· Original abstract
) of the PGM-MXene system contributing to the observed trends in adsorption energies. This study provides a new atomic-level understanding of the rational design principle for stabilizing atomically dispersed SACs on MXenes and provides guidelines for the experimental synthesis.