Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility

doi:10.1039/c9nr10806h

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	Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility
	Bai, Xiaojing ; Zha, Xian-Hu ; Qiao, Yingjie ; Qiu, Nianxiang ; Zhang, Yiming ; Luo, Kan ; He, Jian ; Li, Qiuwu ; Huang, Qing ; Francisco, Joseph S. S.
刊名	NANOSCALE
	2020
卷号	12 期号:6 页码:3795-3802
关键词	TRANSITION-METAL CARBIDES TI2CO2 MXENE TRANSISTORS FERROMAGNETISM GRAPHENE
DOI	10.1039/c9nr10806h
英文摘要	As a new family of two-dimensional materials, MXenes have attracted increasing attention in recent years due to their widespread potential applications. In contrast to early transition metals in convention, here we expand the M element of MXene to the rare earth element lutetium. Based on the first-principles density functional calculations, the bare lutetium-based carbide MXene Lu2C is determined to be stabilized in the T-type configuration. Furthermore, both fluorine and hydroxyl terminated configurations are found to be semiconductors, and their band gaps are suitable for use in semiconductors and visible and near-infrared optical devices. The Lu2C(OH)(2) configuration shows a direct band gap and possesses an ultralow work function of 1.4 eV. Both Lu2CT2 (T = F, OH) MXenes exhibit high carrier mobilities. Particularly, the electron mobility of the Lu2C(OH)(2) MXene is found to be anisotropic at room temperature, with values as high as 95.19 x 10(3) and 217.1 x 10(3) cm(2) V-1 center dot s(-1) in the zigzag and armchair directions, respectively, which makes Lu2C(OH)(2) a promising material for nanodevices. Based on these predicted properties, our work widens the range of MXene materials and their applications in semiconducting devices.
学科主题	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/19979]
专题	2020专题
作者单位	1.Du, SY (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Engn & Technol, Engn Lab Adv Energy Mat, Ningbo 315201, Zhejiang, Peoples R China. 2.Du, SY (corresponding author), Harbin Engn Univ, Coll Mat Sci & Chem Engn, Harbin 150001, Heilongjiang, Peoples R China.
推荐引用方式 GB/T 7714	Bai, Xiaojing,Zha, Xian-Hu,Qiao, Yingjie,et al. Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility[J]. NANOSCALE,2020,12(6):3795-3802.
APA	Bai, Xiaojing.,Zha, Xian-Hu.,Qiao, Yingjie.,Qiu, Nianxiang.,Zhang, Yiming.,...&Du, Shiyu.(2020).Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility.NANOSCALE,12(6),3795-3802.
MLA	Bai, Xiaojing,et al."Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility".NANOSCALE 12.6(2020):3795-3802.