化学
催化作用
密度泛函理论
甲醇
空位缺陷
金属
碳化物
共价键
电子转移
金属间化合物
甲烷氧化偶联
电子定域函数
无机化学
计算化学
结晶学
物理化学
电子
有机化学
物理
合金
量子力学
作者
Shenzhou Li,Gang Wang,Houfu Lv,Zijie Lin,Jiashun Liang,Xuan Liu,Yang‐Gang Wang,Yunhui Huang,Guoxiong Wang,Qing Li
摘要
Reactive metal-support interaction (RMSI) is an emerging way to regulate the catalytic performance for supported metal catalysts. However, the induction of RMSI by the thermal reduction is often accompanied by the encapsulation effect on metals, which limits the mechanism research and applications of RMSI. In this work, a gradient orbital coupling construction strategy was successfully developed to induce RMSI in Pt-carbide system without a reductant, leading to the formation of L1
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