Designing Intrinsic Topological Insulators in Two-Dimensional Metal-Organic Frameworks

doi:10.1021/acs.jpclett.1c01731

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	Designing Intrinsic Topological Insulators in Two-Dimensional Metal-Organic Frameworks
	Deng, Tianqi 1; Shi, Wen 1,2; Wong, Zicong Marvin 1; Wu, Gang 1; Yang, Xiaoping 3; Zheng, Jin-Cheng 4,5; Pan, Hui 6; Yang, Shuo-Wang 1
	2021-07-29
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
ISSN	1948-7185
通讯作者	Wu, Gang(wug@ihpc.a-star.edu.sg) ; Yang, Shuo-Wang(yangsw@ihpc.a-star.edu.sg)
摘要	The connection between electronic structures of metal-organic frameworks (MOFs) and their building subunits is a key cornerstone for rational MOF material design. Some two-dimensional conjugated MOFs were reported to be topological insulators. However, many of them are not intrinsic as the Fermi levels are far from the topological gaps. The subunit-to-MOF electronic orbital correspondence should be established to bridge their chemical structure and physical properties, thus understanding the design rules toward intrinsic topological insulators. Herein we reveal the fundamental role of the subunit-to-MOF symmetry relation in determining their orbital interaction and hybridization and, consequently, topological characteristics. In particular, such honeycomb-kagome MOFs possess delocalized symmetry-enforced nonbonding electronic states with the topological spin-orbit gap. The nonbonding nature of these states allows tailored band structure modulation through molecular structure and strain engineering, with the potential realization of an intrinsic metal-organic topological insulator.
DOI	10.1021/acs.jpclett.1c01731
关键词[WOS]	CONDUCTIVITY ; NANOSHEET
收录类别	SCI
语种	英语
资助项目	Agency for Science, Technology and Research (ASTAR) of Singapore[1527200024] ; ASTAR Computational Resource Centre (A*CRC)
项目资助者	Agency for Science, Technology and Research (ASTAR) of Singapore ; ASTAR Computational Resource Centre (A*CRC)
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000680449800027
出版者	AMER CHEMICAL SOC
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/123082
专题	中国科学院合肥物质科学研究院
通讯作者	Wu, Gang; Yang, Shuo-Wang
作者单位	1.Agcy Sci Technol & Res, Inst High Performance Comp, Singapore 138632, Singapore 2.Sun Yat Sen Univ, Sch Chem, Guangzhou 510275, Peoples R China 3.Chinese Acad Sci, Anhui Key Lab Condensed Matter Phys Extreme Condi, High Magnet Field Lab, HFIPS, Hefei 230031, Anhui, Peoples R China 4.Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China 5.Xiamen Univ Malaysia, Dept Phys, Sepang 43900, Selangor, Malaysia 6.Univ Macau, Inst Appl Phys & Mat Engn, Taipa 999078, Macao, Peoples R China
推荐引用方式 GB/T 7714	Deng, Tianqi,Shi, Wen,Wong, Zicong Marvin,et al. Designing Intrinsic Topological Insulators in Two-Dimensional Metal-Organic Frameworks[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2021,12.
APA	Deng, Tianqi.,Shi, Wen.,Wong, Zicong Marvin.,Wu, Gang.,Yang, Xiaoping.,...&Yang, Shuo-Wang.(2021).Designing Intrinsic Topological Insulators in Two-Dimensional Metal-Organic Frameworks.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,12.
MLA	Deng, Tianqi,et al."Designing Intrinsic Topological Insulators in Two-Dimensional Metal-Organic Frameworks".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12(2021).