通过卤化物过氧化物纳米线 Cs4MX5 内部填充实现 n 型碳纳米管

IF 2.7 3区 物理与天体物理 Q2 PHYSICS, APPLIED Journal of Applied Physics Pub Date : 2024-09-19 DOI:10.1063/5.0225284
Sisi Cao, Qiyao Yang, Juexian Cao, Wangping Xu
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引用次数: 0

摘要

基于 N 型碳纳米管(CNT)的场效应晶体管(FET)在低功耗隧道 FET 中具有巨大的应用潜力。然而,低功函数金属电极可以实现 N 型 CNT,但由于环境稳定性差,很容易被氧化。因此,我们在第一原理计算的基础上,提出了卤化物包晶纳米线 Cs4MX5(M = Pb、Sn;X = Cl、Br、I)内部填充来实现 n 型单壁 CNT(SWCNT)。结果表明,位于 SWCNT 中心的所有过氧化物纳米线都具有很高的稳定性。此外,SWCNTs 的直径是影响包晶纳米线内部填充的关键因素,其最佳直径约为 1.4 nm。此外,所有的包晶纳米线 Cs4MX5 都是出色的电子供体,其中 Cs4SnI5 的最大电荷转移量高达 1.72 e/nm。它们的相互作用机理揭示了低功函数和大内带隙是立方相纳米线实现 n 型 CNT 的两个重要因素。我们的发现为应用基于 CNTs 的 FET 提供了一些候选材料和实现 n 型 CNTs 的可行方法。
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Realizing n-type carbon nanotubes via halide perovskite nanowires Cs4MX5 inner filling
N-type carbon nanotubes (CNTs)-based field-effect transistors (FETs) have huge potential applications in low-power consumption tunnel FETs. However, the low-work function metal electrodes can achieve n-type CNTs, but they are easily oxidized due to poor environmental stability. Therefore, based on first-principles calculations, we proposed halide perovskite nanowires Cs4MX5 (M = Pb, Sn; X = Cl, Br, I) inner filling to achieve n-type single-walled CNTs (SWCNTs). The results indicated that all the perovskite nanowires located at the center of the SWCNTs possess high stability. Moreover, the diameter of SWCNTs is a crucial factor affecting the inner filling of perovskite nanowires with an optimal diameter of about 1.4 nm. Furthermore, all the perovskite nanowires Cs4MX5 are excellent electron donors, and the largest charge transfer is up to 1.72 e/nm for Cs4SnI5. Their interaction mechanism reveals that the low work function and the large internal bandgap are two important factors for cubic-phase nanowires to realize the n-type CNTs. Our findings provide some candidate materials and a feasible way to achieve n-type CNTs for applying CNTs-based FETs.
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来源期刊
Journal of Applied Physics
Journal of Applied Physics 物理-物理:应用
CiteScore
5.40
自引率
9.40%
发文量
1534
审稿时长
2.3 months
期刊介绍: The Journal of Applied Physics (JAP) is an influential international journal publishing significant new experimental and theoretical results of applied physics research. Topics covered in JAP are diverse and reflect the most current applied physics research, including: Dielectrics, ferroelectrics, and multiferroics- Electrical discharges, plasmas, and plasma-surface interactions- Emerging, interdisciplinary, and other fields of applied physics- Magnetism, spintronics, and superconductivity- Organic-Inorganic systems, including organic electronics- Photonics, plasmonics, photovoltaics, lasers, optical materials, and phenomena- Physics of devices and sensors- Physics of materials, including electrical, thermal, mechanical and other properties- Physics of matter under extreme conditions- Physics of nanoscale and low-dimensional systems, including atomic and quantum phenomena- Physics of semiconductors- Soft matter, fluids, and biophysics- Thin films, interfaces, and surfaces
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