Understanding and tackling the activity and selectivity issues for methane to methanol using single atom alloys

被引：6

作者：

Bunting, Rhys J. ^{[1
]}

Rice, Peter S. ^{[1
]}

Yao, Zihao ^{[1
]}

Thompson, Jillian ^{[1
]}

Hu, P. ^{[1
]}

机构：

[1] Queens Univ Belfast, Sch Chem & Chem Engn, David Keir Bldg,Stranmillis Rd, Belfast BT9 5AG, Antrim, North Ireland

来源：

CHEMICAL COMMUNICATIONS | 2022年 / 58卷 / 69期

关键词：

OXIDATION; CONVERSION; CATALYSTS;

D O I：

10.1039/d2cc03183c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The process for the direct oxidation of methane to methanol is investigated on single atom alloys using density functional theory. A catalyst search is performed across FCC metal single atom alloys. 7 single atom alloys are found as candidates and microkinetic modelling is performed. The activity and selectivity are remarkably improved over that of pure palladium metal, yet remain unideal.

引用

页码：9622 / 9625

页数：4

共 17 条

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