@inproceedings{51008eafb4bf4e198f7c96c7eea58c63,
title = "First-principles Study of the Self-assembly monolayer on silicon (100) surface",
abstract = "The first principles calculation based density functional theory has been employed to investigate the changes of energy, bonds length and bonds angle of aryldiazonium salt Self-assembly monolayer (SAMs) on silicon (100) surface. The steady structure and binding energy can be determined. It is shown that the partial bonds length and bonds angle have been changed obviously before and after self-assembly. The reduced energy of system is -101.95eV, i.e. binding energy, which is emitted energy of Si-C covalent bond coming into being, illuminates that the SAMs can be fabricated easily between aryldiazonium salt and Si (100) surface. The stability of system can be improved and SAMs can firmly stay on Si (100) surface.",
keywords = "Aryl diazonium salts, First principles calculation, Monolayer, Silicon (100)",
author = "Liqiu Shi and Feng Yu and Xiaoping Hu and Xiaowen Li and Tao Sun and Shen Dong",
year = "2012",
doi = "10.4028/www.scientific.net/AMR.430-432.28",
language = "英语",
isbn = "9783037853399",
series = "Advanced Materials Research",
pages = "28--31",
booktitle = "Frontiers of Advanced Materials and Engineering Technology, FAMET 2012",
note = "2012 International Conference on Frontiers of Advanced Materials and Engineering Technology, FAMET 2012 ; Conference date: 04-01-2012 Through 05-01-2012",
}