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N- and p-type doping of antimonene

机译：锑烯的N-和p型掺杂

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摘要

Antimonene, monolayer antimony, was recently predicted to be a two-dimensional (2D) semiconductor with a blue photoresponse. N- and p-type doping of this material is essential for its future application in optoelectronic devices, but has not yet been carried out. Here, we introduce tetrathiafulvalene (TTF) and tetracyanoquinodimethane (TCNQ) as electron and hole dopants to attain n- and p-type antimonene semiconductors. Then, the electronic properties of the chemically doped antimonene are investigated based on comprehensive first-principles calculations. Through TTF modified antimonene, we acquire an n-type semiconductor with a deep donor state of 0.73 eV. Importantly, through TCNQ functionalized antimonene, a p-type semiconductor is achieved with a shallow acceptor state of 0.27 eV. Moreover, the co-adsorption of TTF and TCNQ on antimonene can significantly decrease the band-gaps to 0.15 and 0.12 eV in the one- and two-side configurations, respectively, exhibiting n-type semiconductance with shallow donor states. Such n- and p-type antimonene semiconductors may widen the application of two-dimensional semiconductors in electronics and optoelectronics.
机译：锑烯，单层锑，最近预测是具有蓝色光响应的二维（2D）半导体。这种材料的N-和P型掺杂对于未来的光电器件应用是必不可少的，但尚未进行。这里，我们将四硫代戊烯（TTF）和四环喹啉二甲烷（TCNQ）作为电子和空穴掺杂剂介绍，以获得N-和P型抗亚烯半导体。然后，基于综合的第一原理计算来研究化学掺杂锑烯的电子性质。通过TTF改性的锑烯，我们获得具有0.73eV的深供体状态的N型半导体。重要的是，通过TCNQ官能化锑烯，通过0.27eV的浅层受体状态实现p型半导体。此外，TTF和TCNQ对锑烯的共吸收可以显着降低与浅供体状态的n型半导体的单侧和双侧配置中的带间隙至0.15和0.12eV。这种N-和P型锑半导体可以扩大二维半导体在电子和光电子中的应用。

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  • 来源
    《RSC Advances》 |2016年第18期|共6页
  • 作者

    Xie Meiqiu; Zhang Shengli; Cai Bo; Zou Yousheng; Zeng Haibo;

  • 作者单位

    Nanjing Univ Sci &

    Technol Coll Mat Sci &

    Engn Jiangsu Key Lab Adv Micro &

    Nano Mat &

    Technol Inst Optoelect &

    Nanomat Nanjing 210094 Jiangsu Peoples R China;

    Nanjing Univ Sci &

    Technol Coll Mat Sci &

    Engn Jiangsu Key Lab Adv Micro &

    Nano Mat &

    Technol Inst Optoelect &

    Nanomat Nanjing 210094 Jiangsu Peoples R China;

    Nanjing Univ Sci &

    Technol Coll Mat Sci &

    Engn Jiangsu Key Lab Adv Micro &

    Nano Mat &

    Technol Inst Optoelect &

    Nanomat Nanjing 210094 Jiangsu Peoples R China;

    Nanjing Univ Sci &

    Technol Coll Mat Sci &

    Engn Jiangsu Key Lab Adv Micro &

    Nano Mat &

    Technol Inst Optoelect &

    Nanomat Nanjing 210094 Jiangsu Peoples R China;

    Nanjing Univ Sci &

    Technol Coll Mat Sci &

    Engn Jiangsu Key Lab Adv Micro &

    Nano Mat &

    Technol Inst Optoelect &

    Nanomat Nanjing 210094 Jiangsu Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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