学术报告：Gold and graphene nanosystems from first principles

报告人：Dr. De-en Jiang (江德恩), Oak Ridge National Laboratory

邀请人：王金兰
时间：10月20号（周三）上午10:00
地点：田家炳南楼205

Abstract: In this talk, I will present our original contributions in two “hot” topical areas: thiolated gold nanoclusters and nanographenes. Total structure determinations of Au₁₀₂(SR)₄₄ in 2007 and Au₂₅(SR)₁₈^- in 2008 (-SR being a thiolate group) brought both surprises and excitement in this field. Inspired by the recent experimental progresses, our first principles density functional theory (DFT) studies emphasized two important characteristics of thiolated gold nanoclusters: (1) a unique thiolate-gold interface; and (2) the role of valence electron count. The exploding interest in graphene was catalyzed by the successful isolation of graphene in 2004. Our first principles investigations focused on how the electronic structure evolves from a benzene ring to the infinite honeycomb lattice. I will also give an example how to design porous graphene for gas separations.

DE-EN  JIANG, Ph.D.

Member of R&D staff
Nanomaterials Chemistry Group

Chemical Sciences Division, Oak Ridge National Laboratory

EDUCATION

• Postdoctoral Research Associate, 2005-2006, ORNL
• PhD, Chemistry (Physical), 2005, University of California, Los Angeles (UCLA)
• MS, Chemistry (Physical), 2000, Peking University, Beijing, China
• BS, Chemistry, 1997, Peking University, Beijing, China

RESEARCH INTERESTS

• Advanced materials chemistry for energy applications
• Surface chemistry, adsorption, separations, and catalysis
• Structures and properties of nanoparticles and nanographenes
• Functionalization of nanoparticles and substrate surfaces
• Molecular dynamics of novel ionic liquids

Selected PEER-REVIEWED PUBLICATIONS (out of 60+ in total) 

・       Wang, C.M.; Luo, H.M.; Jiang, D. E.; Li,  H.R.*; Dai, S.* "Carbon Dioxide Capture by Superbase-Derived Protic Ionic Liquids" Angew. Chem. Int. Ed., 49, 5978 (2010). (Selected by the editor as a "Hot Paper").

・       Jiang, D. E.*; Walter, M.; Dai, S. "Gold Sulfide Nanoclusters: A Unique Core-in-cage Structure" Chem. Euro. J., 16, 4999 (2010). (Highlighted by the editor on the first page of the issue).