Wu Chongchong, Yang Weijie, Wang Jacky Jingyi, Li Hao, Gates Ian D
Department of Chemical and Petroleum Engineering, University of Calgary, Calgary, T2N 1N4, Alberta, Canada.
School of Energy and Power Engineering, North China Electric Power University, Baoding 071003, China.
Chem Commun (Camb). 2021 Nov 16;57(91):12127-12130. doi: 10.1039/d1cc05701d.
Dual-atom Fe catalysts supported by three nitrogen atom doped graphene (FeTM/GP, where TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) are explored for methane adsorption and activation. The addition of the second metal significantly tunes the properties of the catalysts. The main factor influencing methane adsorption is electron transfer. The second metal promotes methane adsorption by altering the electronic properties such as the band structure and charge transfer. A volcano-shaped relationship is found between the absolute value of adsorption energy and energy barrier at the heteroatom FeTM/GP. FeNi/GP has the lowest energy barrier. Heteroatom FeTM/GP has a lower energy barrier than FeFe/GP.
研究了由三氮原子掺杂石墨烯负载的双原子铁催化剂（FeTM/GP，其中TM = Ti、V、Cr、Mn、Fe、Co、Ni和Cu）用于甲烷的吸附和活化。第二种金属的添加显著调节了催化剂的性能。影响甲烷吸附的主要因素是电子转移。第二种金属通过改变诸如能带结构和电荷转移等电子性质来促进甲烷吸附。在杂原子FeTM/GP上，吸附能绝对值与能垒之间发现了火山形关系。FeNi/GP具有最低的能垒。杂原子FeTM/GP的能垒低于FeFe/GP。
