Computations of Structures, Properties and Functions of Complex Systems

Oxygen activation and dissociation on h-BN supported Au atoms

  1. Min Gao1,
  2. Andrey Lyalin1,2,†,*,
  3. Tetsuya Taketsugu1,2

Article first published online: 27 MAR 2012

DOI: 10.1002/qua.24066

Issue

International Journal of Quantum Chemistry

International Journal of Quantum Chemistry

Special Issue: Seventh Congress of the International Society for Theoretical Chemical Physics

Volume 113, Issue 4, pages 443–452, 15 February 2013

Additional Information

How to Cite

Gao, M., Lyalin, A. and Taketsugu, T. (2013), Oxygen activation and dissociation on h-BN supported Au atoms. Int. J. Quantum Chem., 113: 443–452. doi: 10.1002/qua.24066

Author Information

  1. 1

    Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810, Japan

  2. 2

    Center for Strategic Utilization of Elements, Hokkaido University, Sapporo 060-0810, Japan

  1. †

    On leave from V. A. Fock Institute of Physics, St Petersburg State University, 198504 St Petersburg, Petrodvorez, Russia

*Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810, Japan

  1. †

    On leave from V. A. Fock Institute of Physics, St Petersburg State University, 198504 St Petersburg, Petrodvorez, Russia

Publication History

  1. Issue published online: 22 JAN 2013
  2. Article first published online: 27 MAR 2012
  3. Manuscript Accepted: 1 FEB 2012
  4. Manuscript Revised: 30 JAN 2012
  5. Manuscript Received: 9 DEC 2011

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    Min Gao, Andrey Lyalin, Tetsuya Taketsugu, CO oxidation on h-BN supported Au atom, The Journal of Chemical Physics, 2013, 138, 3, 034701

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    Andrey Lyalin, Akira Nakayama, Kohei Uosaki, Tetsuya Taketsugu, Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction, Physical Chemistry Chemical Physics, 2013, 15, 8, 2809

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