Structural and Mechanical Properties Changes in Carbon and Boron Nitride Nanotubes Under the Impact of Atomic Oxygen

被引：3

作者：

Voronina, Ekaterina N. ^{[1
]}

Novikov, Lev S. ^{[1
]}

机构：

[1] Lomonosov Moscow State Univ, Skobeltsy Inst Nucl Phys, Moscow, Russia

来源：

PROTECTION OF MATERIALS AND STRUCTURES FROM THE SPACE ENVIRONMENT, ICPMSE-11 | 2017年 / 47卷

关键词：

Nanostructures; Carbon nanotubes; Boron nitride nanotubes; Graphene; Atomic oxygen; Computer simulation; AB-INITIO; GRAPHENE; O-2;

D O I：

10.1007/978-3-319-19309-0_29

中图分类号：

V [航空、航天];

学科分类号：

08 ; 0825 ;

摘要：

This paper presents results of simulation of processes of the oxygen atom impact on carbon and boron nanotubes with ab initio (DFT) and semi-empirical (SCC DFTB) methods. Our calculations demonstrated that the impact of oxygen atoms may cause the nanotube elongation and unzipping. We performed DFTB simulations of the impact of hyperthermal oxygen atoms on graphene and carbon nanotubes of small diameter in the case of a low-coverage regime to obtain a detailed picture of the formation of different oxygen-containing groups on their surfaces.

引用

页码：283 / 292

页数：10

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