DFT Study on the Effect of Aluminum Position in Zn-Exchanged MFI on Methane Activation
DFT Study on the Effect of Aluminum Position in Zn-Exchanged MFI on Methane Activation
复制标题
DOI:
10.1021/acs.jpcc.9b02487
复制
发表时间:
2019-06
期刊:
影响因子:
--
通讯作者:
Sandra C Albarracín-Suazo;Y. Pagán-Torres;María C. Curet-Arana
中科院分区:
文献类型:
--
作者:
Sandra C Albarracín-Suazo;Y. Pagán-Torres;María C. Curet-Arana
The position of aluminum atoms in ion-exchanged zeolites is known to affect the reactivity of active sites. In this work, we used density functional theory (DFT) calculations to systematically quan...