First-Principles Calculations of Cu Single-Atom Catalysts on Mixed-Functionalized Ti₂CTₓ (T = F, O, OH) MXene for Electrochemical CO₂ Reduction

作者：Fangkui Liang, Z. S. Xu, Zhansheng Lu, Tao Jing, Runzi Zhou, Xin Gong, Zenghui Qiu, Wenjie Yan, Xin Zhang · 发表于：SSRN Electronic Journal · 年份：2026 · DOI：10.2139/ssrn.6427055 · 研究领域：MXene and MAX Phase Materials、CO2 Reduction Techniques and Catalysts、Ammonia Synthesis and Nitrogen Reduction