Xu X.,Institute of Industrial Catalysis |
Ge Z.,Institute of Industrial Catalysis |
Cheng D.,Zhejiang University of Technology |
Lei M.,Institute of Industrial Catalysis |
And 4 more authors.
Organic Letters | Year: 2010
Chemical Equation Presentation Promoted by CuCI/CCI4, a variety of sulfonyl azides and tertiary amines were successfully coupled to give sulfonyl amidine derivatives in good to excellent yields. A possible mechanism for this reaction Is discussed © 2010 American Chemical Society.
Meng Q.-Q.,State Key Laboratory Breeding Base of Green Chemistry Synthesis Technology |
Meng Q.-Q.,Institute of Industrial Catalysis |
Wang J.-G.,State Key Laboratory Breeding Base of Green Chemistry Synthesis Technology |
Wang J.-G.,Institute of Industrial Catalysis |
And 6 more authors.
Catalysis Today | Year: 2011
TiO2 nanotube arrays can be synthesized by several experimental procedures. Here we construct the first theoretical model of the array. Based on the density functional theory calculations, the formation energy of the TiO2 nanotube array is nearly the same as that of rutile TiO 2 (1 1 0) surface. Moreover the electronic properties of TiO 2 nanotube arrays have been analyzed. The thermodynamic properties of H2O splitting on the TiO2 nanotube and nanotube arrays have been discussed using the density functional theory calculations and Gibbs free energy diagrams. The overpotential of H2O splitting is 0.51 and 1.0 eV on the outside and inside of nanotube and 1.13 eV on the inside TiO 2 nanotube of an array. © 2010 Elsevier B.V. All rights reserved.