First-principles Study of the Self-assembly Mono layer on Silicon (100) Surface

被引：0

作者：

Shi, Liqiu ^{[1
]}

Yu, Feng ^{[1
]}

Hu, Xiaoping ^{[1
]}

Li, Xiaowen ^{[1
]}

Sun, Tao ^{[2
]}

Dong, Shen ^{[2
]}

机构：

[1] Jiamusi Univ, Jiamusi 154007, Peoples R China

[2] Harbin Inst Technol, Ctr Precis Engn, Harbin 150001, Peoples R China

来源：

FRONTIERS OF ADVANCED MATERIALS AND ENGINEERING TECHNOLOGY, PTS 1-3 | 2012年 / 430-432卷

关键词：

First principles calculation; Aryl diazonium salts; Silicon (100); monolayer; MOLECULAR NANOSTRUCTURES; GROWTH;

D O I：

10.4028/www.scientific.net/AMR.430-432.28

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：28 / +

页数：2

共 50 条

[21] THE PRINCIPLES OF SELF-ASSEMBLY
JAMES, B
KYBERNETES, 1994, 23 (03) : 65 - 66
[22] Stability and Electronic Properties of Hydrogenated MoS2 Mono layer: A First-Principles Study
Zhang, Weibin
Zhang, Zhijun
Yang, Woochul
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2015, 15 (10) : 8075 - 8080
[23] First-principles study of the T center in silicon
Dhaliah, Diana
Xiong, Yihuang
Sipahigil, Alp
Griffin, Sinead M.
Hautier, Geoffroy
PHYSICAL REVIEW MATERIALS, 2022, 6 (05)
[24] First-principles study of radiation defects in silicon
Pelenitsyn, Vladislav
Korotaev, Pavel
COMPUTATIONAL MATERIALS SCIENCE, 2022, 207
[25] A FIRST-PRINCIPLES STUDY OF LI-METAL ADSORPTION ON A SI(100) SURFACE
KO, YJ
CHANG, KJ
YI, JY
JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 1995, 28 : S101 - S104
[26] Amorphous silicon hexaboride: a first-principles study
Durandurdu, Murat
PHILOSOPHICAL MAGAZINE, 2018, 98 (30) : 2723 - 2733
[27] First-principles study of hydrogenated amorphous silicon
Jarolimek, K.
de Groot, R. A.
de Wijs, G. A.
Zeman, M.
PHYSICAL REVIEW B, 2009, 79 (15):
[28] First-principles study of boron diffusion in silicon
Windl, W
Bunea, MM
Stumpf, R
Dunham, ST
Masquelier, MP
PHYSICAL REVIEW LETTERS, 1999, 83 (21) : 4345 - 4348
[29] First-principles study on the electronic structure of Thiophenbithiol (TBT) on Au(100) surface
Jalili, S.
Vaziri, R.
INTERNATIONAL JOURNAL OF NANO DIMENSION, 2010, 1 (01) : 25 - 32
[30] First-principles study of near surface point defects stability in Si (100) and SiGe(100)
Fetah, S.
Chikouche, A.
Dkhissi, A.
Esteve, A.
Rouhani, M. Djafari
Landa, G.
Pochet, P.
THIN SOLID FILMS, 2010, 518 (09) : 2418 - 2421

← 1 2 3 4 5 →