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, Haijun Xu, Zhansheng Lu, Tao Jing, Runzi Zhou, Xin Gong, Zenghui Qiu, Wenjie Yan, Xin Zhang · 发表于：Applied Surface Science · 年份：2026 · DOI：10.1016/j.apsusc.2026.167624 · 研究领域：CO2 Reduction Techniques and Catalysts、Ammonia Synthesis and Nitrogen Reduction、MXene and MAX Phase Materials