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

被引：12
作者：
Shen, Changli [1 ]
Li, Huiying [1 ]
Yu, Jun [1 ]
Wu, Guisheng [1 ]
Mao, Dongsen [1 ]
Lu, Guanzhong [1 ,2 ]
机构：
[1] Shanghai Inst Technol, Res Inst Appl Catalysis, Shanghai 201418, Peoples R China
[2] E China Univ Sci & Technol, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China
来源：
CHEMCATCHEM | 2013年 / 5卷 / 10期
基金：
中国国家自然科学基金;
关键词：
copper; density functional calculations; oxidation; palladium; reaction mechanisms; SUPPORTED PDCL2-CUCL2 CATALYSTS; CARBON-MONOXIDE OXIDATION; WACKER-TYPE CATALYSTS; CU CATALYSTS; ALUMINA; PD; TRANSITION; MECHANISM; MOISTURE; METALS;
D O I：
10.1002/cctc.201300356
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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)). © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：2813 / 2817
页数：5
相关论文
共 50 条
[41]   State of active components on the surface of the PdCl2-CuCl2/γ-Al2O3 catalyst for the low-temperature oxidation of carbon monoxide [J].
D. N. Titov ;
A. V. Ustyugov ;
O. P. Tkachenko ;
L. M. Kustov ;
Ya. V. Zubavichus ;
A. A. Veligzhanin ;
N. V. Sadovskaya ;
I. V. Oshanina ;
L. G. Bruk ;
O. N. Temkin .
Kinetics and Catalysis, 2012, 53 :262-273
[42]   Elucidation of the Active Sites in Single-Atom Pd1/CeO2 Catalysts for Low-Temperature CO Oxidation [J].
Jiang, Dong ;
Wan, Gang ;
Garcia-Vargas, Carlos E. ;
Li, Linze ;
Pereira-Hernandez, Xavier Isidro ;
Wang, Chongmin ;
Wang, Yong .
ACS CATALYSIS, 2020, 10 (19) :11356-11364
[43]   Reactivity of Pd-Cu/Al2O3 and Cu/Al2O3 during catalytic hydrogen combustion - In-situ mechanistic study and rate law determination [J].
Kim, Jongho ;
Tahmasebi, Arash ;
Rish, Salman Khoshk ;
Jeon, Chung-Hwan ;
Yu, Jianglong .
JOURNAL OF THE ENERGY INSTITUTE, 2023, 109
[44]   Effect of CeO2 on oxidation of CO over Pd/Al2O3 catalyst [J].
Zhou, RX ;
Xu, XL ;
Zheng, XM .
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 1996, 17 (03) :443-446
[45]   Low-temperature synthesis of α-Al2O3 [J].
Dudnik, E. V. ;
Shevchenko, A. V. ;
Ruban, A. K. ;
Red'ko, V. P. ;
Lopato, L. M. .
POWDER METALLURGY AND METAL CERAMICS, 2008, 47 (7-8) :379-383
[46]   Low-temperature synthesis of α-Al2O3 [J].
E. V. Dudnik ;
A. V. Shevchenko ;
A. K. Ruban ;
V. P. Red’ko ;
L. M. Lopato .
Powder Metallurgy and Metal Ceramics, 2008, 47 :379-383
[47]   Three-Dimensional Probing of Catalyst Ageing on Different Length Scales: A Case Study of Changes in Microstructure and Activity for CO Oxidation of a Pt-Pd/Al2O3 Catalyst [J].
Pingel, Torben Nilsson ;
Fouladvand, Sheedeh ;
Heggen, Marc ;
Dunin-Borkowski, Rafal E. ;
Jaeger, Wolfgang ;
Westenberger, Peter ;
Phifer, Daniel ;
McNeil, Jace ;
Skoglundh, Magnus ;
Gronbeck, Henrik ;
Olsson, Eva .
CHEMCATCHEM, 2017, 9 (18) :3544-3553
[48]   An experimental and first principles DFT investigation on the effect of Cu addition to Ni/Al2O3 catalyst for the dry reforming of methane [J].
Chada, Anjaneyulu ;
Ghouri, Minhaj M. ;
El Hassan, Omar Wissam ;
Mohamed, Nosaiba ;
Prakash, Anuj, V ;
Elbashir, Nimir O. .
APPLIED CATALYSIS A-GENERAL, 2020, 602
[49]   Catalytic reduction of nitrate in water over Pd-Cu/γ-Al2O3 catalyst [J].
Zhang, Y ;
Chen, YX ;
Liu, HY .
CHINESE JOURNAL OF CATALYSIS, 2003, 24 (04) :270-274
[50]   The Origin of Au/Ce1-xZrxO2 Catalyst's Active Sites in Low-Temperature CO Oxidation [J].
Dobrosz-Gomez, Izabela ;
Gomez-Garcia, Miguel-angel ;
Rynkowski, Jacek Michal .
CATALYSTS, 2020, 10 (11) :1-27
12345