材料科学
范德瓦尔斯力
钒
结晶学
密度泛函理论
电子迁移率
物理
化学
计算化学
分子
光电子学
量子力学
冶金
作者
Jun-Ho Lee,You Kyoung Chung,Dongchul Sung,ByungJoo Jeong,Seongbae Oh,Jae‐Young Choi,Joonsuk Huh
出处
期刊:Nanotechnology
[IOP Publishing]
日期:2022-01-05
卷期号:33 (13): 135703-135703
被引量:4
标识
DOI:10.1088/1361-6528/ac4288
摘要
Abstract Vanadium selenide (V 2 Se 9 ) is a true one-dimensional (1D) crystal composed of atomic nanochains bonded by van der Waals (vdW) interactions. Recent experiments revealed the mechanical exfoliation of newly synthesized V 2 Se 9 . In this study, we predicted the electronic and transport properties of V 2 Se 9 through computational analyses. We calculated the intrinsic carrier mobility of V 2 Se 9 monolayers (MLs) and nanoribbons (NRs) using density functional theory and deformation potential theory. We found that the electron mobility of the two-dimensional (2D) (010)-plane ML of V 2 Se 9 is highly anisotropic, reaching μ 2 D , z e = 1327 cm 2 V −1 s −1 across the chain direction. The electron mobility of 1D NR systems in a (010)-plane ML of V 2 Se 9 along the chain direction continuously increased as the thickness increased from 1-chain to 4-chain NR (width below 3 nm). Interestingly, the electron mobility of 1D 4-chain NR along the chain direction ( μ 1 D , x e = 775 cm 2 V −1 s −1 ) was higher than that of a 2D (010)-plane ML ( μ 2 D , x e = 567 cm 2 V −1 s −1 ). These results demonstrate the potential of vdW-1D crystal V 2 Se 9 as a new nanomaterial for ultranarrow (sub-3 nm width) optoelectronic devices with high electron mobility.
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