[1]易 丹.扭曲状石墨烯及其掺杂量子点的荧光性能[J].四川师范大学学报(自然科学版),2020,43(04):516-520.[doi:10.3969/j.issn.1001-8395.2020.04.015]
 YI Dan.Investigation on Fluorescence Properties of Warped Graphene and Its Doped Quantum Dots[J].Journal of SichuanNormal University,2020,43(04):516-520.[doi:10.3969/j.issn.1001-8395.2020.04.015]
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扭曲状石墨烯及其掺杂量子点的荧光性能()
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《四川师范大学学报(自然科学版)》[ISSN:1001-8395/CN:51-1295/N]

卷:
43卷
期数:
2020年04期
页码:
516-520
栏目:
基础理论
出版日期:
2020-06-20

文章信息/Info

Title:
Investigation on Fluorescence Properties of Warped Graphene and Its Doped Quantum Dots
文章编号:
1001-8395(2020)04-0516-05
作者:
易 丹
电子科技大学成都学院 微电子技术系, 四川 成都 611731
Author(s):
YI Dan
Department of Microelectronics Technology, Chengdu College of University of Electronic Science and Technology of China, Chengdu 611731, Sichuan
关键词:
石墨烯量子点 光学性质 密度泛函理论
Keywords:
GQDs optical property density functional theory
分类号:
O482.3
DOI:
10.3969/j.issn.1001-8395.2020.04.015
文献标志码:
A
摘要:
采用密度泛函理论(DFT)研究扭曲状石墨烯C80H30的本征结构以及边缘位置掺B、中间位置掺B、边缘位置掺N、中间位置掺N等5种量子点的电子结构和光学性质,并与平面状石墨烯结构对比分析.结果表明,扭曲状GQDs未掺杂前能隙宽度为2.014 eV,在紫外波段强烈吸收,615.7 nm绿色波段发光,掺入电子受体B后HOMO能级和LUMO能级均升高,掺入给电子体N后HOMO能阶和LUMO能阶均出现降低,2种原子的掺入都会导致能隙宽度变窄,在红色波段发光,掺杂原子及位置不同均会对吸收光谱产生影响.类比于平面状GQDs,扭曲状GQDs的能隙宽度均变宽,吸收峰整体表现出往短波方向移动,发射光谱出现不同程度的蓝移.
Abstract:
The electronic structures and optical properties of warped graphere, doped B atom at the edge, oped B atom in the middle, doped N atom at the edge and doped N atom in the middle are calanlated by density functional theory(DFT). The results show that the forbidden gap of warped graphere quantum dots is 2.014 eV, ultraviolet wave is absorbed strongly, and green fluorescence is observed. Doped B atom will rise the HOMO and LUMO level, doped N atom will decrease the HOMO and LUMO level, doped B and N atom both will narrow the forbidden band, and obtain red fluorescence. Different atom doped in different position will affect the wavelength of absorption. Compared with plannar GQDs, wider forbidden band, shorter wavelength of absorption, blue-shift of emission spectrum of warped GQDs are observed.

参考文献/References:

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备注/Memo

备注/Memo:
收稿日期:2019-04-23 接受日期:2019-05-28
基金项目:四川省教育厅一般项目(18ZB0253)
作者简介:易 丹(1985—),女,讲师,主要从事应用量子物理的研究,E-mail:297374549@qq.com
更新日期/Last Update: 2020-06-20