Investigation of the active sites of CO2 hydrogenation to methanol over a Cu-based catalyst by the UBI-QEP approach

被引：19
作者：
Wang, GC
Zhao, YZ
Cai, ZS
Pan, YM
Zhao, XZ [1 ]
Li, YW
Sun, YH
Zhong, B
机构：
[1] Nankai Univ, Dept Chem, Tianjin 300071, Peoples R China
[2] Educ Coll Henan Puyang, Puyang 47000, Peoples R China
[3] Chinese Acad Sci, Inst Coal Chem, Taiyuan 030001, Peoples R China
来源：
SURFACE SCIENCE | 2000年 / 465卷 / 1-2期
关键词：
alcohols; carbon dioxide; catalysis; copper; hydrogen molecule; models of surface kinetics; surface energy;
D O I：
10.1016/S0039-6028(00)00660-9
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：
Activation energies of elementary reactions in the methanol synthesis from CO2/H-2 over clean and oxygen-modified Cu (100) surfaces have been calculated using the Unity Bond Index-Quadratic Exponental Potential approach. By comparison of the energies at different coverages of oxygen, it was found that there is a volcano-shaped relation between the coverage of oxygen on the Cu (100) surface and the reaction activity, suggesting that a ratio of Cu+/Cu-o species on the surface controls the catalytic activity. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：51 / 58
页数：8
相关论文
共 50 条
[1]   Insight into the correlation between Cu species and methanol selectivity from CO2 hydrogenation over Cu-based catalyst [J].
Shi, Peixiang ;
Han, Jiahao ;
Yan, Zhiqiang ;
Luo, Pengcheng ;
Wang, Jingjing ;
Ban, Hongyan ;
Zhang, Xinghua ;
Li, Congming .
MOLECULAR CATALYSIS, 2024, 563
[2]   The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts [J].
Studt, Felix ;
Behrens, Malte ;
Kunkes, Edward L. ;
Thomas, Nygil ;
Zander, Stefan ;
Tarasov, Andrey ;
Schumann, Julia ;
Frei, Elias ;
Varley, Joel B. ;
Abild-Pedersen, Frank ;
Norskov, Jens K. ;
Schloegl, Robert .
CHEMCATCHEM, 2015, 7 (07) :1105-1111
[3]   Active Sites of Cu/ZnO-Based Catalysts for CO2 Hydrogenation to Methanol [J].
Al Salmi, Mustafa .
JOHNSON MATTHEY TECHNOLOGY REVIEW, 2024, 68 (04) :490-502
[4]   Hydrogenation of CO2 to methanol over Cu/ZnCr catalyst [J].
Xiong, Shuhao ;
Lian, Yun ;
Xie, Hong ;
Liu, Bing .
FUEL, 2019, 256
[5]   MOF-808 as Effective Support for Cu-Based Catalyst for CO2 Hydrogenation to Methanol [J].
Ramakrishnan, Abinavnataraj ;
Rathod, Simmy ;
Tucho, Wakshum Mekonnen ;
Chavan, Sachin M. ;
Yu, Zhixin .
CATALYSTS, 2025, 15 (04)
[6]   CO2 Hydrogenation to Methanol over Mesoporous SiO2-Coated Cu-Based Catalysts [J].
Vieira, Luiz H. ;
Rossi, Marco A. ;
Rasteiro, Leticia F. ;
Assaf, Jose M. ;
Assaf, Elisabete M. .
ACS NANOSCIENCE AU, 2024, 4 (04) :235-242
[7]   Synergy between active sites of Cu-In-Zr-O catalyst in CO2 hydrogenation to methanol [J].
Yao, Libo ;
Shen, Xiaochen ;
Pan, Yanbo ;
Peng, Zhenmeng .
JOURNAL OF CATALYSIS, 2019, 372 :74-85
[8]   Highly Efficient CO2 Hydrogenation to Methanol over the Mesostructured Cu/AlZnO Catalyst [J].
Li, Shaozhong ;
Guo, Qing ;
Li, Jin ;
Hu, Yongke ;
Lin, Jiayu .
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2021, 2021 (35) :3601-3610
[9]   CATALYSIS Active sites for CO2 hydrogenation to methanol on Cu/ZnO catalysts [J].
Kattel, Shyam ;
Ramirez, Pedro J. ;
Chen, Jingguang G. ;
Rodriguez, Jose A. ;
Liu, Ping .
SCIENCE, 2017, 355 (6331) :1296-+
[10]   Comment on "Active sites for CO2 hydrogenation to methanol on Cu/ZnO catalysts" [J].
Nakamura, Junji ;
Fujitani, Tadahiro ;
Kuld, Sebastian ;
Helveg, Stig ;
Chorkendorff, Ib ;
Sehested, Jens .
SCIENCE, 2017, 357 (6354)
12345