Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study

doi:10.1088/1674-1056/27/11/113101

中国物理B ›› 2018, Vol. 27 ›› Issue (11): 113101-113101.doi: 10.1088/1674-1056/27/11/113101

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇下一篇

Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study

Jing Hu(胡静), Xiu-Neng Song(宋秀能), Sheng-Yu Wang(王胜雨), Juan Lin(林娟), Jun-Rong Zhang(张俊荣), Yong Ma(马勇)

School of Physics and Electronics, Shandong Normal University, Jinan 250014, China

收稿日期:2018-08-03 修回日期:2018-09-05 出版日期:2018-11-05 发布日期:2018-11-05
通讯作者: Xiu-Neng Song, Yong Ma E-mail:xiuneng@sdnu.edu.cn;mayong@sdnu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11874242, 11804196, and 11804197).

Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study

Jing Hu(胡静), Xiu-Neng Song(宋秀能), Sheng-Yu Wang(王胜雨), Juan Lin(林娟), Jun-Rong Zhang(张俊荣), Yong Ma(马勇)

School of Physics and Electronics, Shandong Normal University, Jinan 250014, China

Received:2018-08-03 Revised:2018-09-05 Online:2018-11-05 Published:2018-11-05
Contact: Xiu-Neng Song, Yong Ma E-mail:xiuneng@sdnu.edu.cn;mayong@sdnu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11874242, 11804196, and 11804197).

摘要/Abstract

摘要：

The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectroscopy (XPS) and the x-ray absorption near-edge structure (XANES) spectra of the interfacial structure of an s-triazine molecule adsorbed on Si(100) surface have been performed by the first principles, and the landscape of the s-triazine molecule on Si(100) surface has been described in detail. Both the XPS and XANES spectra have shown their dependence on different structures for the pristine s-triazine molecule and its several possible adsorbed configurations. By comparison with the XPS spectra, the XANES spectra display the strongest structural dependency of all of the studied systems and thus could be well applied to identify the chemisorbed s-triazine derivatives. The exploration of spectral components originated from non-equivalent carbons in disparate local environments has also been implemented for both the XPS and XANES spectra of s-triazine adsorbed configurations.

关键词: s-triazine, silicon surface, x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge structure (XANES)

Abstract:

Key words: s-triazine, silicon surface, x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge structure (XANES)

中图分类号: (Theory of electronic structure, electronic transitions, and chemical binding)

31.10.+z

31.15.A- (Ab initio calculations) 31.15.ag (Excitation energies and lifetimes; oscillator strengths)

胡静, 宋秀能, 王胜雨, 林娟, 张俊荣, 马勇. Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study[J]. 中国物理B, 2018, 27(11): 113101-113101.

Jing Hu(胡静), Xiu-Neng Song(宋秀能), Sheng-Yu Wang(王胜雨), Juan Lin(林娟), Jun-Rong Zhang(张俊荣), Yong Ma(马勇). Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study[J]. Chin. Phys. B, 2018, 27(11): 113101-113101.

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Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study

Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study

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