IMR OpenIR
Electronic structure and mechanical properties of layered compound YB2C2: A promising precursor for making two dimensional (2D) B2C2 nets
Zhou, Yanchun; Xiang, Huimin; Wang, Xiaohui; Sun, Wei; Dai, Fu-Zhi; Feng, Zhihai; Zhou, YC (reprint author), Aerosp Res Inst Mat & Proc Technol, Sci & Technol Adv Funct Composite Lab, Beijing 100076, Peoples R China.
2017-09-01
发表期刊JOURNAL MATER SCI TECHNOL
ISSN1005-0302
卷号33期号:9页码:1044-1054
摘要Layered compounds play pivotal roles as precursors for producing 2D materials through mechanical exfoliation (micro-mechanical cleavage) or chemical approaches. Therefore, searching for layered compounds with sharp anisotropic chemical bonding and properties becomes emergent. In this work, the stability, electronic structure, elastic properties, and lattice dynamics of YB2C2 were investigated. Strong anisotropy in elastic properties is revealed, i.e., high Young's modulus in a-b plane but low Young's modulus in c direction. The maximum to minimum Young's modulus ratio is 2.41 and 2.45 for YB2C2 with P4(2)/mmc and P4/mbm symmetry, respectively. The most likely systems for shear sliding or micro-delaminating are (001)[100] and (001)[010]. The anisotropic elastic properties are underpinned by the anisotropic chemical bonding, i.e., strong bonding within the B2C2 nets and weak bonding between Y atom layers and B2C2 nets. YB2C2 is electrically conductive and the contributions to the electrical conductivity are from delocalized Y 4de(g) as well as B 2p(z) and C 2p(z) electrons. The layered crystal structure, sharp anisotropic mechanical properties, and metallic conductivity endorse YB2C2 promising as a precursor for new 2D B2C2 nets. (C) 2017 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.; Layered compounds play pivotal roles as precursors for producing 2D materials through mechanical exfoliation (micro-mechanical cleavage) or chemical approaches. Therefore, searching for layered compounds with sharp anisotropic chemical bonding and properties becomes emergent. In this work, the stability, electronic structure, elastic properties, and lattice dynamics of YB2C2 were investigated. Strong anisotropy in elastic properties is revealed, i.e., high Young's modulus in a-b plane but low Young's modulus in c direction. The maximum to minimum Young's modulus ratio is 2.41 and 2.45 for YB2C2 with P4(2)/mmc and P4/mbm symmetry, respectively. The most likely systems for shear sliding or micro-delaminating are (001)[100] and (001)[010]. The anisotropic elastic properties are underpinned by the anisotropic chemical bonding, i.e., strong bonding within the B2C2 nets and weak bonding between Y atom layers and B2C2 nets. YB2C2 is electrically conductive and the contributions to the electrical conductivity are from delocalized Y 4de(g) as well as B 2p(z) and C 2p(z) electrons. The layered crystal structure, sharp anisotropic mechanical properties, and metallic conductivity endorse YB2C2 promising as a precursor for new 2D B2C2 nets. (C) 2017 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
部门归属[zhou, yanchun ; xiang, huimin ; sun, wei ; dai, fu-zhi ; feng, zhihai] aerosp res inst mat & proc technol, sci & technol adv funct composite lab, beijing 100076, peoples r china ; [wang, xiaohui] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, liaoning, peoples r china
关键词Yb2c2 Layered Compounds Electronic Structure Mechanical Properties 2d Graphite Like Materials
学科领域Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
资助者National Science Foundation of China [U1435206, 51672064]; Beijing Municipal Science & Technology Commission [Z151100003315012, D161100002416001]
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/79121
专题中国科学院金属研究所
通讯作者Zhou, YC (reprint author), Aerosp Res Inst Mat & Proc Technol, Sci & Technol Adv Funct Composite Lab, Beijing 100076, Peoples R China.
推荐引用方式
GB/T 7714
Zhou, Yanchun,Xiang, Huimin,Wang, Xiaohui,et al. Electronic structure and mechanical properties of layered compound YB2C2: A promising precursor for making two dimensional (2D) B2C2 nets[J]. JOURNAL MATER SCI TECHNOL,2017,33(9):1044-1054.
APA Zhou, Yanchun.,Xiang, Huimin.,Wang, Xiaohui.,Sun, Wei.,Dai, Fu-Zhi.,...&Zhou, YC .(2017).Electronic structure and mechanical properties of layered compound YB2C2: A promising precursor for making two dimensional (2D) B2C2 nets.JOURNAL MATER SCI TECHNOL,33(9),1044-1054.
MLA Zhou, Yanchun,et al."Electronic structure and mechanical properties of layered compound YB2C2: A promising precursor for making two dimensional (2D) B2C2 nets".JOURNAL MATER SCI TECHNOL 33.9(2017):1044-1054.
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
[Zhou, Yanchun]的文章
[Xiang, Huimin]的文章
[Wang, Xiaohui]的文章
百度学术
百度学术中相似的文章
[Zhou, Yanchun]的文章
[Xiang, Huimin]的文章
[Wang, Xiaohui]的文章
必应学术
必应学术中相似的文章
[Zhou, Yanchun]的文章
[Xiang, Huimin]的文章
[Wang, Xiaohui]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。