Anisotropic Mo-2-Phthalocyanine Sheet: A New Member of the   Organometallic Family

doi:10.1021/jp4109255

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	Anisotropic Mo-2-Phthalocyanine Sheet: A New Member of the Organometallic Family
	Zhu, Guizhi ; Kan, Min ; Sun, Qiang ; Jena, Puru
刊名	journal of physical chemistry a
	2014
关键词	GRAPHENE PHTHALOCYANINES MOLECULES CLUSTERS MO-2
DOI	10.1021/jp4109255
英文摘要	Metal organic porous sheets, due to their unique atomic configurations and properties, represent a class of materials beyond graphene and BN monolayers. The Mo-2-phthalocyanine-based sheet (Mo2Pc) is a new member of this porous organometallic family. Using density functional theory with hybrid functional for exchange correlation potential, we show that this dimer-based material, unlike conventional organic monolayers that contain isolated metal atoms, possesses unique mechanical, magnetic, electronic, and optical properties due to inherent anisotropy in the structure. Furthermore, it is a semiconductor with a direct band gap of 0.93 eV and is antiferromagnetic with each Mo site carrying a magnetic moment of 0.88 mu(B). The strong anisotropy in elasticity and infrared light absorption is likely to open new doors for potential applications.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000329678100034&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Chemistry, Physical; Physics, Atomic, Molecular & Chemical; SCI(E); EI; PubMed; 2; ARTICLE; sunqiang@pku.edu.cn; 1; 304-307; 118
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/189738]
专题	工学院
推荐引用方式 GB/T 7714	Zhu, Guizhi,Kan, Min,Sun, Qiang,et al. Anisotropic Mo-2-Phthalocyanine Sheet: A New Member of the Organometallic Family[J]. journal of physical chemistry a,2014.
APA	Zhu, Guizhi,Kan, Min,Sun, Qiang,&Jena, Puru.(2014).Anisotropic Mo-2-Phthalocyanine Sheet: A New Member of the Organometallic Family.journal of physical chemistry a.
MLA	Zhu, Guizhi,et al."Anisotropic Mo-2-Phthalocyanine Sheet: A New Member of the Organometallic Family".journal of physical chemistry a (2014).