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Design of Novel Functional Materials Based on First-Principles Calculations

Speaker: Dr. Zhen-Kun Tang, Beijing Computational Science Research Center

Abstract: Advanced functional materials have been widely studied on the experimental side. In order to further optimize the properties of such kind of materials, it is great necessary to explore the intrinsic mechanism of the complex fabricating process at atomic level. In this talk, I will show our recent studies on the reduced graphene oxide and electrocatalyst for fuel cells, by first-principles calculations, and such studies greatly advance our understanding of their structures and properties.

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



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