专题：Discovery and Innovation of Inorganic Graphene Analogues by Computations
授课时间：2015年5月18日18:00-19:30（2学时）
授课地点：教学楼A01-N305
主讲人：陈中方
听课班级：石油与化学工程学院全体本科生，欢迎研究生和老师参加。
【主讲人简介】
Dr. Zhongfang Chen is a full professor in the Department of Chemistry, University of Puerto Rico (UPR), Rio Piedras campus, USA. His lab is performing computations on a broad range of nanomaterials, investigating their intrinsic properties, designing new materials with desired properties, and studying their effects to environment and human health. The systems under his investigation include, but are not limited to, one-dimensional nanomaterials (nanotubes, nanocables, peapods, etc), carbon and inorganic nanographenes, nanocatalysts, novel materials for hydrogen and lithium storage, endohedral metallofullerenes and related endohedral clusters, and molecules with novel bonding patterns.
Dr. Chen has delivered over 100 lectures around the world, and contributed around 200 papers, including three in Chem. Rev., and over 30 in J. Am. Chem. Soc., Angew. Chem. Int. Ed., Phys. Rev. Lett., ACS Nano, Nano Lett., and Adv. Funct. Mater. Ten papers were highlighted by professional journals (Nature, Chem. & Eng. News and/or Nachrichten aus der Chemie, Nature China, Nature Chemistry). These papers gained him over 6600 citations, and an H-index of 44.
【授课内容简介】
The unique properties of carbon nanographene and nanoribbons endow graphene-based materials many applications. Such planar structures are not limited to carbon, the inorganic graphene analogues also exhibit many intriguing properties. Here we will present our recent and ongoing efforts in exploring the intrinsic properties and applications of some important and representative inorganic nanographenes such as MoS2, BN, and designing emerging two-dimensional (2D) nanostructures such as As/Sb, SiC2, Al2C and Be2C monolayers, by means of density functional computations. The AS/Sb monolayers are indirect wide-band gap semiconductors, and can be easily converted into direct band gap semiconductors upon bixaxial strain. Especially, the SiC2, Al2C and Be2C monolayers have rather unusual chemical bonding: the Si/C atoms in SiC2/Al2C adopt planar tetracoordinate configuration, while Be2C contains planar hexacoordinate carbon moieties. The high stabilities of these yet-hypothetical systems strongly suggest the feasibility for experimental realization, and we are calling for experimental efforts and further investigations on nanomaterials with novel chemical bonding, especially on the rule-breaking systems.
References
[1] Y. Li, Z. Zhou, S. B. Zhang, Z. Chen, MoS2Nanoribbons: High Stability, Unusual Electronic and Magnetic Properties,J. Am. Chem. Soc.130, 16739 (2008)
(2) W. Chen, Y. Li, G. Yu, C. Li, S. B. Zhang, Z. Zhou, Z. Chen, Hydrogenation: A Simple Approach to Realize Semiconductor―Half-Metal ― Metal Transition in Boron Nitride Nanoribbons,J. Am. Chem. Soc.,132, 1699 (2010)
(3) Y. Li, F. Li, Z. Zhou, Z. Chen, SiC2Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens,J. Am. Chem. Soc.,133, 900 (2011)
(4) Y. Li, Y. Liao, Z. Chen, Be2C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure,Angew. Chem. Int. Ed.53, 7248 (2014)
(5) Y. Li, Y. Liao, Z. Chen, Al2C Monolayer: Global Minimum Containing Planar Tetracoordinate Carbon,Nanoscale,6, 10784 (2014)
(6) S. Zhang, Z. Yan, Y. Li, Z. Chen, H. Zeng, Atomically Thin Arsenene and Antimonene: Semimetal-semiconductor and Indirect-direct Band Gap Transitions,Angew. Chem. Int. Ed.,54, 3112 (2015)
