Hydrogenated carbon nanotubes: x-ray absorption spectroscopy and ab initio simulation analysis

被引：2

作者：

Brzhezinskaya, M. ^{[1
]}

Yalovega, G. ^{[2
]}

Shmatko, V. ^{[2
]}

Klyushin, A. ^{[3
]}

Bogoslavskaya, E. ^{[4
]}

Krestinin, A. ^{[5
]}

Bashkin, I. ^{[6
]}

机构：

[1] Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Nanometeropt & Technol, Albert Einstein Str 15, D-12489 Berlin, Germany

[2] Southern Fed Univ, Rostov Na Donu 344090, Russia

[3] Fritz Haber Inst Max Planck-Gesellschaft, D-14195 Berlin, Germany

[4] Don State Tech Univ, Rostov Na Donu 344010, Russia

[5] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Russia

[6] Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Russia

来源：

15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS15) | 2013年 / 430卷

关键词：

D O I：

10.1088/1742-6596/430/1/012025

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The paper presents the results of investigation of the chemical bond formation in hydrogenated single-walled carbon nanotubes using X-ray absorption spectroscopy. All measurements were performed with the use of synchrotron radiation at BESSY II. The C1s absorption spectra point to formation of covalent chemical bonding between the hydrogen and carbon atoms in H-SWNTs. The investigation of the H-SWNT local structure has been carried out on the basis of the semi-empirical PM6 method (MOPAC 2009) and Finite Difference method. The possibility of H-SWNTs dehydrogenation was also investigated.

引用

页数：4

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