• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

新型混合阴离子基二维ScHX（X = I/Br）半导体的应变和衬底诱导电子性质

Strain and Substrate-Induced Electronic Properties of Novel Mixed Anion-Based 2D ScHX (X = I/Br) Semiconductors.

作者信息

Rawat Ashima, Pandey Ravindra

机构信息

Department of Physics, Michigan Technological University, Houghton, MI 49931, USA.

出版信息

Nanomaterials (Basel). 2024 Aug 26;14(17):1390. doi: 10.3390/nano14171390.

DOI:10.3390/nano14171390
PMID:39269052
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11397377/
Abstract

Exploration of compounds featuring multiple anions beyond the single-oxide ion, such as oxyhalides and oxyhydrides, offers an avenue for developing materials with the prospect of novel functionality. In this paper, we present the results for a mixed anion layered material, ScHX (X: Br, I) based on density functional theory. The result predicted the ScHX (X: Br, I) monolayers to be stable and semiconducting. Notably, the electronic and mechanical properties of the ScHX monolayers are comparable to well-established 2D materials like graphene and MoS, rendering them highly suitable for electronic devices. Additionally, these monolayers exhibit an ability to adjust their band gaps and band edges in response to strain and substrate engineering, thereby influencing their photocatalytic applications.

摘要

探索具有多个阴离子（而非单一氧离子）的化合物，如卤氧化物和氢氧化物，为开发具有新功能前景的材料提供了一条途径。在本文中，我们基于密度泛函理论给出了一种混合阴离子层状材料ScHX（X：Br、I）的研究结果。结果预测ScHX（X：Br、I）单层是稳定的且具有半导体性质。值得注意的是，ScHX单层的电子和机械性能与石墨烯和MoS等成熟的二维材料相当，使其非常适合用于电子器件。此外，这些单层表现出能够响应应变和衬底工程来调节其带隙和带边的能力，从而影响它们的光催化应用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f880de06bb1a/nanomaterials-14-01390-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/089885887361/nanomaterials-14-01390-g0A1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/3f45cb68f414/nanomaterials-14-01390-g0A2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/5c8ce608fc4a/nanomaterials-14-01390-g0A3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/6f2551a7d6f0/nanomaterials-14-01390-g0A4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/d31e746e3df6/nanomaterials-14-01390-g0A5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f6d5eaa38278/nanomaterials-14-01390-g0A6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/4a5a44d31021/nanomaterials-14-01390-g0A7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/b462ecd71706/nanomaterials-14-01390-g0A8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/e1aecf9a598a/nanomaterials-14-01390-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f57e9fbb908f/nanomaterials-14-01390-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/a811e0d8bba3/nanomaterials-14-01390-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/2e8cf2dea5c3/nanomaterials-14-01390-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/91c73a7eca56/nanomaterials-14-01390-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/9e82ca05a24c/nanomaterials-14-01390-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/e1ea4c71f93e/nanomaterials-14-01390-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/fe84d98cbe97/nanomaterials-14-01390-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/12fcf1798d3c/nanomaterials-14-01390-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f57a40c4c035/nanomaterials-14-01390-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f880de06bb1a/nanomaterials-14-01390-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/089885887361/nanomaterials-14-01390-g0A1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/3f45cb68f414/nanomaterials-14-01390-g0A2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/5c8ce608fc4a/nanomaterials-14-01390-g0A3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/6f2551a7d6f0/nanomaterials-14-01390-g0A4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/d31e746e3df6/nanomaterials-14-01390-g0A5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f6d5eaa38278/nanomaterials-14-01390-g0A6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/4a5a44d31021/nanomaterials-14-01390-g0A7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/b462ecd71706/nanomaterials-14-01390-g0A8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/e1aecf9a598a/nanomaterials-14-01390-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f57e9fbb908f/nanomaterials-14-01390-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/a811e0d8bba3/nanomaterials-14-01390-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/2e8cf2dea5c3/nanomaterials-14-01390-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/91c73a7eca56/nanomaterials-14-01390-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/9e82ca05a24c/nanomaterials-14-01390-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/e1ea4c71f93e/nanomaterials-14-01390-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/fe84d98cbe97/nanomaterials-14-01390-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/12fcf1798d3c/nanomaterials-14-01390-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f57a40c4c035/nanomaterials-14-01390-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19ee/11397377/f880de06bb1a/nanomaterials-14-01390-g011.jpg

相似文献

1
Strain and Substrate-Induced Electronic Properties of Novel Mixed Anion-Based 2D ScHX (X = I/Br) Semiconductors.新型混合阴离子基二维ScHX（X = I/Br）半导体的应变和衬底诱导电子性质
Nanomaterials (Basel). 2024 Aug 26;14(17):1390. doi: 10.3390/nano14171390.
2
Theoretical prediction of 2D XI (X=Si, Ge, Sn, Pb) monolayers by density functional theory.基于密度泛函理论对二维 XI（X=Si、Ge、Sn、Pb）单层的理论预测。
J Mol Graph Model. 2020 Mar;95:107501. doi: 10.1016/j.jmgm.2019.107501. Epub 2019 Nov 19.
3
Transition metal chalcogenides: ultrathin inorganic materials with tunable electronic properties.过渡金属硫属化物：具有可调电子性质的超薄无机材料。
Acc Chem Res. 2015 Jan 20;48(1):65-72. doi: 10.1021/ar500277z. Epub 2014 Dec 9.
4
An study of two-dimensional anisotropic monolayers ScXY (X = S and Se; Y = Cl and Br) for photocatalytic water splitting applications with high carrier mobilities.一项关于二维各向异性单层ScXY（X = S和Se；Y = Cl和Br）用于具有高载流子迁移率的光催化水分解应用的研究。
Phys Chem Chem Phys. 2022 Feb 9;24(6):3770-3779. doi: 10.1039/d1cp05369h.
5
Prediction of 2D IV-V semiconductors: flexible monolayers with tunable band gaps and strong optical absorption as water-splitting photocatalysts.二维 IV-V 族半导体的预测：具有可调带隙和强光学吸收的柔性单层作为水分解光催化剂。
Nanoscale. 2023 May 25;15(20):9123-9129. doi: 10.1039/d3nr00276d.
6
Transition metal dichalcogenides and beyond: synthesis, properties, and applications of single- and few-layer nanosheets.过渡金属二卤化物及其以外的单层和少层纳米片的合成、性质和应用。
Acc Chem Res. 2015 Jan 20;48(1):56-64. doi: 10.1021/ar5002846. Epub 2014 Dec 9.
7
Single-layer MoS2 electronics.单层 MoS2 电子学。
Acc Chem Res. 2015 Jan 20;48(1):100-10. doi: 10.1021/ar500274q. Epub 2015 Jan 2.
8
Highly anisotropic mechanical and optical properties of 2D NbOX2 (X = Cl, Br, I) revealed by first-principle.第一性原理揭示二维NbOX2（X = Cl、Br、I）的高度各向异性力学和光学性质
Nanotechnology. 2022 Apr 12;33(27). doi: 10.1088/1361-6528/ac622f.
9
Optical and dielectric response of two-dimensional WX (X = Cl, O, S, Se, Te) monolayers: A comprehensive study based on density functional theory.二维 WX（X = Cl、O、S、Se、Te）单层的光学和介电响应：基于密度泛函理论的综合研究。
Luminescence. 2023 Jul;38(7):1368-1373. doi: 10.1002/bio.4453. Epub 2023 Feb 15.
10
Two-dimensional MgXSe (X = Al, Ga) monolayers with tunable electronic properties for optoelectronic and photocatalytic applications.二维 MgXSe（X = Al，Ga）单层材料具有可调谐的电子性质，可用于光电和光催化应用。
Nanoscale. 2019 Nov 14;11(42):19806-19813. doi: 10.1039/c9nr07529a. Epub 2019 Oct 17.

本文引用的文献

1
Two Janus GaSTe monolayers and their electronic, optical, and photocatalytic properties.两层 Janus GaSTe 单层及其电子、光学和光催化性能。
Phys Chem Chem Phys. 2023 Mar 15;25(11):7937-7945. doi: 10.1039/d3cp00070b.
2
Rich nature of Van Hove singularities in Kagome superconductor CsVSb.Kagome超导体CsVSb中范霍夫奇点的丰富特性
Nat Commun. 2022 Apr 25;13(1):2220. doi: 10.1038/s41467-022-29828-x.
3
An analysis of Schottky barrier in silicene/GaSeS heterostructures by employing electric field and strain.通过施加电场和应变对硅烯/硒硫化镓异质结构中的肖特基势垒进行分析。
Phys Chem Chem Phys. 2022 May 4;24(17):10210-10221. doi: 10.1039/d2cp00228k.
4
Thermal Properties of 2D Dirac Materials MN (M = Be and Mg): A First-Principles Study.二维狄拉克材料MN（M = Be和Mg）的热学性质：第一性原理研究
ACS Omega. 2022 Mar 14;7(12):10812-10819. doi: 10.1021/acsomega.2c00785. eCollection 2022 Mar 29.
5
2D Ultrawide Bandgap Semiconductors: Odyssey and Challenges.二维超宽带隙半导体：探索与挑战
Small Methods. 2022 Apr;6(4):e2101348. doi: 10.1002/smtd.202101348. Epub 2022 Mar 11.
6
Evidence for enormous iodide anion migration in lanthanum oxyiodide-based solid.基于碘氧化镧的固体中碘阴离子大量迁移的证据。
Sci Adv. 2021 Oct 22;7(43):eabh0812. doi: 10.1126/sciadv.abh0812.
7
Strain engineering of 2D semiconductors and graphene: from strain fields to band-structure tuning and photonic applications.二维半导体和石墨烯的应变工程：从应变场到能带结构调控及光子学应用
Light Sci Appl. 2020 Nov 23;9(1):190. doi: 10.1038/s41377-020-00421-5.
8
Modulation of band alignment with water redox potentials by biaxial strain on orthorhombic NaTaO thin films.通过对正交晶系NaTaO薄膜施加双轴应变来调节能带排列与水氧化还原电位的关系。
Phys Chem Chem Phys. 2020 Nov 7;22(41):23810-23815. doi: 10.1039/d0cp04322b. Epub 2020 Oct 16.
9
Elastic properties of bulk and low-dimensional materials using Van der Waals density functional.使用范德华密度泛函研究体材料和低维材料的弹性性质。
Phys Rev B. 2018;98(1). doi: 10.1103/physrevb.98.014107.
10
CsPbICl, All-Inorganic Two-Dimensional Ruddlesden-Popper Mixed Halide Perovskite with Optoelectronic Response.CsPbICl，具有光电响应的全无机二维Ruddlesden-Popper混合卤化物钙钛矿。
J Am Chem Soc. 2018 Sep 5;140(35):11085-11090. doi: 10.1021/jacs.8b06046. Epub 2018 Aug 22.