Title of article
CO oxidation on subnanometer AlPtn clusters
Author/Authors
Guo، نويسنده , , Ling and Zhang، نويسنده , , Ruijun and Guo، نويسنده , , Ling Ling and Niu، نويسنده , , Shuangshuo، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
9
From page
7
To page
15
Abstract
Using the CO oxidation as a chemical probe, we perform a comprehensive ab initio study of catalytic activities of subnanometer AlPtn (n = 1–3) clusters. A Langmuir–Hinshelwood (LH) mechanism is proposed, which offers insights into the fundamental mechanism for CO oxidation on nanosized AlPtn clusters. It is shown that mixing two different metals (Al and Pt) can have beneficial effects on the catalytic activity. The alloyed AlPt2 cluster is proposed as the best effective nanocatalyst.
Keywords
Density functional theory , Mechanism , CO oxidation , AlPtn clusters
Journal title
Computational and Theoretical Chemistry
Serial Year
2014
Journal title
Computational and Theoretical Chemistry
Record number
2286872
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