| 书目名称 | Computational Studies of Transition Metal Nanoalloys |
| 编辑 | Lauro Oliver Paz Borbón |
| 视频video | http://file.papertrans.cn/234/233155/233155.mp4 |
| 概述 | Nominated by the University of Birmingham, UK for a Springer Theses Prize.Results are relevant for theoretical and experimental studies of nanoalloy cluster structure and heterogeneous catalysis by bi |
| 丛书名称 | Springer Theses |
| 图书封面 |  |
| 描述 | The focus of this thesis is the computational modelling of transition metal bimetallic (nanoalloy) clusters. More specifically, the study of Pd-Pt, Ag-Pt, Au-Au and Pd-Au as a few tens of atoms in the gas phase. The author used a combination of global optimization techniques - coupled with a Gupta-type empirical many-body potential - and Density Functional Theory (DFT) calculations to study the structures, bonding and chemical ordering, as well as investigate the chemisorptions of hydrogen and carbon monoxide on bimetallic clusters. This research is highly relevant to experimental catalytic studies and has resulted in more than seven publications in international journals. |
| 出版日期 | Book 2011 |
| 关键词 | Bimetallic nanoalloys; Density Functional Theory (DFT); Gas-phase transition metal clusters; Global opt |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-642-18012-5 |
| isbn_softcover | 978-3-642-26762-8 |
| isbn_ebook | 978-3-642-18012-5Series ISSN 2190-5053 Series E-ISSN 2190-5061 |
| issn_series | 2190-5053 |
| copyright | Springer-Verlag Berlin Heidelberg 2011 |
|Archiver|手机版|小黑屋|
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