A first principles study of the adsorption and hydrogenation of formic acid on a Cu3Zn material: Implication for bulk alloying effect on CO2 hydrogenation reactivity of Cu/ZnO-based catalysts-Reference-Cited by-同舟云学术

A first principles study of the adsorption and hydrogenation of formic acid on a Cu3Zn material: Implication for bulk alloying effect on CO2 hydrogenation reactivity of Cu/ZnO-based catalysts

Published:2022-04 Issue: Volume:205 Page:111222
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Yao Meng-Yuan,Tang Qian-Lin,Chen Cong,Zhang Tian-Tian,Duan Xiao-Xuan,Zhang Xian,Zhang Mao-Lin,Hu Wen

Funder

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference55 articles.

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5. Effect of the components’ interface on the synthesis of methanol over Cu/ZnO from CO2/H2: A microkinetic analysis based on DFT+U calculations;Tang;Phys. Chem. Chem. Phys.,2015

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