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A First‐Principles DFT Study on the Active Sites of Pd‐Cu‐Cl x /Al 2 O 3 Catalyst for Low‐Temperature CO Oxidation
Author(s) -
Shen Changli,
Li Huiying,
Yu Jun,
Wu Guisheng,
Mao Dongsen,
Lu Guanzhong
Publication year - 2013
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201300356
Subject(s) - catalytic cycle , catalysis , copper , palladium , tandem , oxidation process , chemistry , inorganic chemistry , materials science , chemical engineering , organic chemistry , engineering , composite material
A tandem cycle ride: The catalytic reaction mechanism of CO oxidation over Pd‐Cu‐Cl x /γ‐Al 2 O 3 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)).