复合二维材料C_2N/Graphene的结构与电子特性研究
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- 英文论文题名：Structure and electric properties of C_2N/Graphene
- 论文作者：王丹丹 ; 韩冬雪 ; 刘雷 ; 牛利
- 英文论文作者：Dandan Wang ; Dongxue Han ; Lei Liu ; Li Niu ; State Key Laoratory of Electroan alytical Chemistry ; c/o Engineering Laboratory for Modern Analytical Techniques ; Changchun Institute of applied Chemistry ; Chinese Academy of Science ; State Key Laboratory of Luminescence and Applications ; CIOMP ; Chinese Academy of Sciences
- 年：2016
- 作者机构：中国科学院长春应用化学研究所现代分析工程技术实验室;中国科学院长春光学精密机械与物理研究所发光学及应用国家重点实验室;
- 论文关键词：二维复合材料 ; 石墨烯带隙打开 ; 电子特性
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十分会：纳米体系理论与模拟
- 语种：中文
- 分类号：TB332
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十分会 ; 纳米体系理论与模拟
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：321k
- 原文格式：D
- 会议级别：全国
摘要
石墨烯的零带隙极大地限制了其在场效应晶体管中的应用。研究发现,由衬底如SiC~([1])、hBN~([2])等导致的石墨烯晶格对称破却可以将石墨烯带隙打开。本文中,我们考虑另外一种新型的二维材料C_2N~([3,4]),将其与石墨烯复合,C_2N衬底与石墨烯的相互作用使石墨烯的带隙从0变为0.4eV。改变石墨烯与C_2N之间的距离,石墨烯的带隙会发生变化,距离越小,从石墨烯向C_2N衬底转移的电子量越多,石墨烯的带隙越大。这一非零带隙的实现为石墨烯在场效应晶体管中的应用提供了新的思路。分析复合材料的电子结构发现,C_2N层的带隙变化较小,其导带底、价带顶位置与光催化水解的氧化还原电位匹配,因此该复合材料有望于用于光催化水解领域。
The symmetry breaking of sub-lattice originated from the influence of the substrates such as silicon carbide, hexagonal boron nitride can produce a band gap in graphene. Herein, another novel kind of substrate, C_2N, is employed, resulting in a band gap of about 0.40 e V in graphene. In combination with C_2N through the weak vd W interaction, graphene keeps its structural integrity and charge mobility. The amount of electron transfer from graphene to C_2N and the interaction between C_2N and graphene increase with the decreasing interlayer spacing, and the band gap of graphene increases with the decreasing interlayer spacing. Moreover, though the band gap of C_2N is slightly altered, its electric properties especially the direct band gap in visible region and the band dispersions are almost preserved. Thus, our theoretical results predict the promising multifunctional applications of C2N/Graphene nanocomposites, including high-performance FETs and metal-free photocatalytic materials in water splitting.
The symmetry breaking of sub-lattice originated from the influence of the substrates such as silicon carbide, hexagonal boron nitride can produce a band gap in graphene. Herein, another novel kind of substrate, C_2N, is employed, resulting in a band gap of about 0.40 e V in graphene. In combination with C_2N through the weak vd W interaction, graphene keeps its structural integrity and charge mobility. The amount of electron transfer from graphene to C_2N and the interaction between C_2N and graphene increase with the decreasing interlayer spacing, and the band gap of graphene increases with the decreasing interlayer spacing. Moreover, though the band gap of C_2N is slightly altered, its electric properties especially the direct band gap in visible region and the band dispersions are almost preserved. Thus, our theoretical results predict the promising multifunctional applications of C2N/Graphene nanocomposites, including high-performance FETs and metal-free photocatalytic materials in water splitting.
引文
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