logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回

Phase-separated amorphous Si2BN: A computational study

delete2025-02-11
delete0
delete
OA
AI
M
Murat Durandurdu
DOI：10.1063/5.0244715delete
delete原文链接
delete原文求助
delete分享
delete收藏
摘要

摘要

En 中文
本研究采用第一性原理分子动力学模拟，研究了非晶硅硼氮（a-Si2BN）的原子结构、键合及其电学和力学性能。模拟结果表明，其结构呈现出明显的相分离特征，包含富硅和富BN的域。BN层嵌入非晶硅基质中，仅有少量桥接原子连接这些区域。富硅区域在拓扑结构上与非晶硅相似，但存在明显的结构畸变。电子结构计算显示其具有半导体行为，能带隙较小；力学性能分析则表明其体模量和杨氏模量适中，实现了刚性与弹性的平衡。这些发现使a-Si2BN有望应用于柔性电子、高温半导体及储能设备等先进领域。尽管所提出的结构目前仍为假设，但其潜在的实验实现可能为新兴技术中的材料设计开辟新途径。
Keyword:
A-SI-H
MOLECULAR-DYNAMICS
BORON-NITRIDE
STRUCTURAL-PROPERTIES
2-DIMENSIONAL SI2BN
EFFICIENT
PERFORMANCE
DENSITY
NANORIBBONS
MONOLAYERS

期刊

Journal of Applied Physics 封面图
Journal of Applied Physics
IF:
2.5
论文数:
2.6K
被引数:
14.5W

机构

A
Abdullah Gul University
学者数:
529
论文数: 612
被引数: 2
引用论文

引用论文

Two-dimensional Si2BN nanoflakes for efficient removal of heavy metals
errChemical Physics Letters
IF0
err2021-06-01
err0
PREAI
errHazem Abdelsalam; Mohamed Ali; Nahed H. Teleb; Mohamed M. Ibrahim; Medhat A. Ibrahim; Qinfang Zhang
err分享
err收藏
Structural characterization of amorphous ceramics in the system Si–B–N–(C) by means of transmission electron microscopy methods
errJournal of Materials Research
IF0
err2011-01-31
err0
PREAI
errD. Heinemann; W. Assenmacher; W. Mader; M. Kroschel; M. Jansen
err分享
err收藏
STRUCTURAL PROPERTIES OF a-Si AND a-Si : H BY EXAFSEXAFS法研究a-Si和a-Si : H的结构特性
errLe Journal de Physique Colloques
IF0
err1986-12-01
err0
errOAAI
errA. FILIPPONI; D. DELLA SALA; F. EVANGELISTI; A. BALERNA; S. MOBILIO
err分享
err收藏
Achieving ultrahigh carrier mobilities and opening the band gap in two-dimensional Si2BN在二维Si2BN中实现超高载流子迁移率并打开带隙
errPhysical Chemistry Chemical Physics
IF0
err2018-01-01
err0
PREAI
errDeobrat Singh; Sanjeev K. Gupta; Yogesh Sonvane; Tanveer Hussain; Rajeev Ahuja
err分享
err收藏
Computational alchemy: The search for new superhard materials
errMRS BULLETIN
IF4.9
err2013-11-29
err840
PREAI
errTeter, DM
err分享
err收藏
Stability of two-dimensional BN- Si structures
errPHYSICAL REVIEW B
IF3.7
err2016-09-09
err36
errOAAI
errSandoval, Ernesto D.; Hajinazar, Samad; Kolmogorov, Aleksey N.
err分享
err收藏
Modelling structure and properties of amorphous silicon boron nitride ceramics
errProcessing and Application of Ceramics
IF0
err2011-01-01
err0
errOAAI
errJohann Schön; Alexander Hannemann; Guneet Sethi; Vladimirovich Pentin; Martin Jansen
err分享
err收藏
Elastic constants and density of states of a molecular-dynamics model of amorphous silicon
errPhysical Review B
IF0
err1988-03-15
err0
PREAI
errMark D. Kluge; John R. Ray
err分享
err收藏
Mechanical properties of ion-implanted amorphous silicon
errJournal of Materials Research
IF0
err2011-03-03
err0
PREAI
errD.M. Follstaedt; J.A. Knapp; S.M. Myers
err分享
err收藏
Exploring the Full Potential of Functional Si2BN Nanoribbons As Highly Reversible Anode Materials for Mg-Ion Battery探索功能性Si2BN纳米带作为镁离子电池高度可逆阳极材料的全部潜力
errENERGY & FUELS
IF5.3
err2021-07-15
err6
PREAI
errPanigrahi, Puspamitra; Pal, Yash; Ahuja, Rajeev; Hussain, Tanveer
err分享
err收藏
学者 查看更多内容