Get access

A First-Principles DFT Study on the Active Sites of Pd-Cu-Clx/Al2O3 Catalyst for Low-Temperature CO Oxidation

Authors

  • Changli Shen,

    1. Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    Search for more papers by this author
    • These authors contributed equally to this work.

  • Dr. Huiying Li,

    1. Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    Search for more papers by this author
    • These authors contributed equally to this work.

  • Jun Yu,

    1. Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    Search for more papers by this author
  • Prof. Guisheng Wu,

    1. Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    Search for more papers by this author
  • Prof. Dongsen Mao,

    1. Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    Search for more papers by this author
  • Prof. Guanzhong Lu

    Corresponding author
    1. Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    2. Research Institute of Industrial catalysis East China University of Science and Technology, 130 Meilong Road, Shanghai 200237 (P. R. China)
    • Research Institute of Applied Catalysis, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai 201418 (P. R. China), Fax: (+86) 21-60877231
    Search for more papers by this author

Abstract

original image

A tandem cycle ride: The catalytic reaction mechanism of CO oxidation over Pd-Cu-Clx/γ-Al2O3 is proposed based on DFT studies. There are two catalytic cycles in the CO oxidation process, the palladium cycle ( (green)) and the copper cycle ( (red)).

Get access to the full text of this article

Ancillary