Speaker: Dr. Wei Geng, Beijing Computational Science Research Center    

Abstract: Three types graphene composites include grapheme interaction with titanium dioxide, zinc oxide and diamond were studied by using the density functional theory. The basic physical and electronic properties of composites were calculated. Graphene and titanium dioxide composite were calculated to clarify the interface interactions and enhanced phtocatalytic mechanism. Li intercalation and energy barriers of Li diffusion in graphene and titanium dioxide interface were also studied for lithium ion battery anode application. ZnO/graphene displayed tunable electronic, optical properties for different interface structure. Diamond clusters on graphene formed nanobuds with sp2-sp3 hybrid structures. The electron emission ability of the composites dramatically enhanced when an external electric field was applied with the direction of point to the buds.

Date&Time: September 13, 2013 (Friday), 14:30–15:30
Location: 606 Conference Room