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Density functional theory study on the oxidation of hydrosilylated silicon nanocrystals
  • ISSN号：1005-0302
  • 期刊名称：Journal of Materials Science & Technology
  • 时间：2014
  • 页码：639-643
  • 分类：O627.41[理学—有机化学;理学—化学] O641.121[理学—物理化学;理学—化学]
  • 作者机构：State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering,Zhejiang University, Hangzhou 310027, China
  • 相关基金：Shanghai Supercomputer Center is thanked for providing computation resources. This work was mainly supported by the National Basic Research Program （＂973 program＂, Grant No. 2013 CB632101 ）. Partial support from the National Natural Science Foundation of China for excellent young researchers （Grant No. 61222404）, the R＆D Program of Ministry of Education of China （Grant No. 62501040202） and the 2012 UAlberta MOST Joint Research Laboratories program is acknowledged.
  • 相关项目：印刷硅电子学
作者： Pi, Xiaodong|Wang, Rong|Yang, Deren|
关键词： 氢化硅烷化, 密度泛函理论, 纳米晶硅, 氧化, 表面改性方法, 硅纳米晶, 分子轨道, NCS, Silicon nanocrystals, Density functional theory, Hydrosilylation, Oxidation, Electronic properties, Optical properties
中文摘要：

Corresponding author. Prof.; Tel.： ＋86 571 87951699; Fax： ＋86 571 87952322; E-mail address： mseyang@zju.edu.cn （D. Yang）.

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印刷硅电子学
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期刊信息
  • 《材料科学技术学报：英文版》
  • 中国科技核心期刊
  • 主管单位:中国科协
  • 主办单位:中国金属学会
  • 主编：
  • 地址：中国沈阳文化路72号
  • 邮编：110016
  • 邮箱：
  • 电话：024-83978208
  • 国际标准刊号：ISSN：1005-0302
  • 国内统一刊号：ISSN：21-1315/TG
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  • 被引量:474