|
|
|
篇目详细内容 |
|
【篇名】 |
Hydrogen adsorption and desorption on the Pt and Pd subnano clusters – a review |
|
【刊名】 |
Frontiers of Physics in China |
|
【刊名缩写】 |
Front. Phys. China |
|
【ISSN】 |
1673-3487 |
|
【EISSN】 |
1673-3606 |
|
【DOI】 |
10.1007/s11467-009-0050-6 |
|
【出版社】 |
Higher Education Press and Springer-Verlag |
|
【出版年】 |
2009 |
|
【卷期】 |
4
卷3期 |
|
【页码】 |
356-366
页,共
11
页 |
|
【作者】 |
Liang CHEN (陈亮);
Cheng-gang ZHOU (周成冈);
Jin-ping WU (吴金平);
Han-song CHENG (程寒松);
|
|
【关键词】 |
hydrogen adsorption; density functional theory; metal clusters; catalysis |
【摘要】 |
|
In this review, we present our recent first principles studies on the sequential H2 dissociative chemisorption and H desorption on the Ptn and Pdn clusters (n=2─9, 13). Upon full saturation by H atoms, the calculated H2 dissociative chemisorption energy and H desorption energy on Pt13 and Pd13 clusters are similar to the corresponding values on smaller close-packed clusters. Indeed, the catalytic performances of these subnano clusters do not vary significantly with the particle sizes or shapes. Instead, they are dependent on the surface metal atoms which can be accessed by H atoms. In addition to the coverage dependency of the H2dissociative chemisorption and H sequential desorption energies, the phase transition of both Pt13 and Pd13from the icosahedral to fcc-like structures at certain H coverage was also investigated. |
|
