The mechanism and process of spontaneous boron doping in graphene in the theoretical perspective

被引：2

作者：

Deng, Xiaohui ^{[1
]}

Zeng, Jing ^{[1
]}

Si, Mingsu ^{[2
]}

Lu, Wei ^{[3
]}

机构：

[1] Hengyang Normal Univ, Dept Phys & Elect Informat Sci, Hengyang 421008, Peoples R China

[2] Lanzhou Univ, Minist Educ, Key Lab Magnetism & Magnet Mat, Lanzhou 730000, Peoples R China

[3] Hong Kong Polytech Univ, Univ Res Facil Mat Characterizat & Device Fabrica, Hong Kong, Hong Kong, Peoples R China

来源：

PHYSICS LETTERS A | 2016年 / 380卷 / 41期

关键词：

BRILLOUIN-ZONE INTEGRATIONS; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; AB-INITIO; ELECTRICAL-PROPERTIES; MOLECULAR-DYNAMICS; DOPED GRAPHENE; SADDLE-POINTS; BERRYS PHASE; TRIMETHYLBORON;

D O I：

10.1016/j.physleta.2016.08.002

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A theoretical model is presented that reveals the mechanism of spontaneous boron doping of graphene and is consistent with the microwave plasma experiment choosing trimethylboron as the doping source (Tang et al. (2012) [19]). The spontaneous boron doping originates from the synergistic effect of B and other groups (C, H, CH, CH2 or CH3) decomposing from trimethylboron. This work successfully explains the above experimental phenomenon and proposes a novel and feasible method aiming at B doping of graphene. The mechanism presented here may be also suitable for other two-dimensional carbon-based materials. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：3384 / 3388

页数：5

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