Single-atom Ti doping on S-vacancy two-dimensional CrS<sub>2</sub> as a catalyst for ammonia synthesis: A DFT study

Yiwen Xu, Chaozheng He, Chenxu Zhao, Ling Fu

Single-atom Ti doping on S-vacancy two-dimensional CrS₂ as a catalyst for ammonia synthesis: A DFT study

Yiwen Xu, Chaozheng He, Chenxu Zhao, Ling Fu

中国化学快报 . 2025, (04): 109797 . DOI: 10.1016/j.cclet.2024.109797