凯发

Carbon materials, especially graphene and carbon nanotubes, have attracted much attention during the recent years. In order to the application of graphene in catalysis, various methods have been taken to modify the inert properties of pristine graphene. Graphene containg nitrogen species has been proved an efficient material in catalysis and supporint nanoparticles. In this study, we systematically investigated the role of two types of nitrogen[1-5], including lattice doped and “external” nitrogen, in a series of reactions and supporting metal nanoparticles mainly by means of density functional theory calcualtions. Our study shows that the role of “external” nitrogen in the modification of graphene is similar with “doped” one.

References: 

[1] X.Zhong, H.Y.Yu, G.L.Zhuang, X.D.Wang, Y.S.Zhu, L.Liu, M.D.Dong, and J.G.Wang*, Pyridyne Cycloaddition of Graphene: “External” Active Sites for Oxygen Reduction Reaction. J. Mater. Chem. A, 2 (2014), 897-901

[2] X.Zhong, L.Liu, X.D.Wang, H.Y.Yu,G.L.Zhuang, D.H.Mei, X.L.Li, J.G.Wang*. Radar like Iron based Nanohybrid as Efficient and Stable Electrocatalyst for Oxygen Reduction.J. Mater. Chem. A,  2(2014), 6703-6707

[3] Y.J.Gao, G.Hu, J.Zhong, Z.J.Shi, Y.S.Zhu, D.S.Su*, J.G.Wang*, X.H.Bao, and D.Ma*. Nitrogen-Doped sp2-Hybridized Carbon as a Superior Catalyst for Selective Oxidation. Angew.Chem.Int.Ed. 52(2013) 2109

[4] W.J.Li, Y.J.Gao, W.L.Chen, P.Tang, W.Z.Li, Z.J.Shi,† D.S. Su, J.G.Wang*, D. Ma*,

Catalytic epoxidation reaction over N-containing sp2 carboncatalysts. Acs.Catalysis. 2014, 1261-1266

[5] X.D.Wang, Q.X.Cai, G.L.Zhuang, X.Zhong, X.N.Li, and  J.G.Wang. Geometric and electronic properties of graphene modified by “external” N-containing groups. Phys.Chem.Chem.Phys. 2014, accepted.