NIMTE OpenIR  > 2018专题
First-principles study on the electrical and thermal properties of the semiconducting Sc-3(CN)F-2 MXene
Luo, Kan; Zha, Xian-Hu; Zhou, Yuhong; Guo, Zhansheng; Lin, Cheng-Te; Huang, Qing; Zhou, Shenghu; Zhang, Ruifeng; Du, Shiyu
2018
发表期刊RSC ADVANCES
卷号8期号:40页码:22452-22459
摘要The two-dimensional materials MXenes have recently attracted interest for their excellent performance from diverse perspectives indicated by experiments and theoretical calculations. For the application of MXenes in electronic devices, the exploration of semiconducting MXenes arouses particular interest. In this work, despite the metallic properties of Sc3C2F2 and Sc3N2F2, we find that Sc-3(CN)F-2 is a semiconductor with an indirect band gap of 1.18 eV, which is an expansion of the semiconducting family members of MXene. Using first-principles calculations, the electrical and thermal properties of the semiconducting Sc-3(CN)F-2 MXene are studied. The electron mobilities are determined to possess strong anisotropy, while the hole mobilities show isotropy, i.e. 1.348 x 10(3) cm(2) V-1 s(-1) along x, 0.319 x 10(3) cm(2) V-1 s(-1) along the y directions for electron mobilities, and 0.517 x 10(3) cm(2) V-1 s(-1) along x, 0.540 x 10(3) cm(2) V-1 s(-1) along the y directions for hole mobilities. The room-temperature thermal conductivity along the M direction is determined to be 123-283 W m(-1) K-1 with a flake length of 1-100 m. Besides, Sc-3(CN)F-2 presents a relatively high specific heat of 547 J kg(-1) K-1 and a low thermal expansion coefficient of 8.703 x 10(-6) K-1. Our findings suggest that the Sc-3(CN)F-2 MXene might be a candidate material in the design and application of 2D nanoelectronic devices.
关键词Transition-metal Carbides Electronic-properties Carrier Mobility Monolayer Conductivity Storage Strain Oh Nitrides Sc2ct2
学科领域Biochemistry & Molecular Biology ; Pharmacology & Pharmacy
语种英语
文献类型期刊论文
条目标识符http://ir.nimte.ac.cn/handle/174433/16893
专题2018专题
推荐引用方式
GB/T 7714
Luo, Kan,Zha, Xian-Hu,Zhou, Yuhong,et al. First-principles study on the electrical and thermal properties of the semiconducting Sc-3(CN)F-2 MXene[J]. RSC ADVANCES,2018,8(40):22452-22459.
APA Luo, Kan.,Zha, Xian-Hu.,Zhou, Yuhong.,Guo, Zhansheng.,Lin, Cheng-Te.,...&Du, Shiyu.(2018).First-principles study on the electrical and thermal properties of the semiconducting Sc-3(CN)F-2 MXene.RSC ADVANCES,8(40),22452-22459.
MLA Luo, Kan,et al."First-principles study on the electrical and thermal properties of the semiconducting Sc-3(CN)F-2 MXene".RSC ADVANCES 8.40(2018):22452-22459.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Luo, Kan]的文章
[Zha, Xian-Hu]的文章
[Zhou, Yuhong]的文章
百度学术
百度学术中相似的文章
[Luo, Kan]的文章
[Zha, Xian-Hu]的文章
[Zhou, Yuhong]的文章
必应学术
必应学术中相似的文章
[Luo, Kan]的文章
[Zha, Xian-Hu]的文章
[Zhou, Yuhong]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。