In this study, we employ molecular statics to construct the structure of amorphous zinc oxide. First, we find out the first number of higher energy structures in all local stable structures by Basin-Hopping algorithm, which are separated into different ratio of crystalline/amorphous zinc oxide structures, and then we judge the type of zinc oxide structure by radial distribution function. In addition, we use coordination number to analyse the interatomic bond length and bond angle in the structures. Furthermore, we employ molecular dynamics to increase the temperature of amorphous zinc oxide structures, and then use the distribution of coordination number, bond length and bond angle between zinc and oxygen atom to analyse the change of the local structure of amorphous zinc oxide during the heating process.
| Identifer | oai:union.ndltd.org:NSYSU/oai:NSYSU:etd-0815112-024205 |
| Date | 15 August 2012 |
| Creators | Tsai, Jen-Yu |
| Contributors | Jen-Han Wang, Hui-Lung Chen, Hsin-Tsung Chen, Shih-Jye Sun, Shin-Pon Ju |
| Publisher | NSYSU |
| Source Sets | NSYSU Electronic Thesis and Dissertation Archive |
| Language | Cholon |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0815112-024205 |
| Rights | user_define, Copyright information available at source archive |
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