Design of highly stable MgO promoted Cu/ZnO catalyst for clean methanol production through selective hydrogenation of CO2

Sharma, S.K and Gupta, S. (2021) Design of highly stable MgO promoted Cu/ZnO catalyst for clean methanol production through selective hydrogenation of CO2. Applied Catalysis A: General, 623. p. 118239. ISSN 0926860X

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Abstract

The synergistic interaction between small Cu particles and MgO/ZnO-supported catalysts, synthesized by the hydrothermal method, show a very high methanol production rate (0.0063 mol gCu−1 h−1). High Cu dispersion and large Cu surface area in the hydrothermal synthesized Cu/MgO/ZnO catalyst postulated to be the reason for high activity. The formation of defected ZnO crystals with Mg atoms provided a better adsorption site for CO2 (near Mg atom), whereas Cu-ZnO interface sites are responsible for the activation of CO2. 20 wt% loaded MgO catalyst showed preference to selective CO2 hydrogenation pathway producing clean methanol with > 99 % selectivity. In addition, Density Functional Theory (DFT) studies revealed that the basic nature of the MgO support can be the probable reason for the higher CO2 adsorption at the Cu-MgO interface compared to the Cu-ZnO interface. Cu13/MgO/ZnO (100) surface model is studied to understand the promoting effect of MgO on CO2 adsorption.

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IITH Creators:

IITH Creators	ORCiD
Gupta, Shelaka	https://orcid.org/ 0000-0001-9989-6991

Item Type:

Article

Uncontrolled Keywords:

CO2 hydrogenation, Cu nano-particles, Density functional theory studies, Highly stables, Methanol production, MgO, MgO promotor, Synthesised, ZnO, ]+ catalyst

Subjects:

Chemical Engineering

Divisions:

Department of Chemical Engineering

Depositing User:

Mrs Haseena VKKM

Date Deposited:

03 Dec 2021 11:19

Last Modified:

11 Mar 2022 10:11

URI:

http://raiithold.iith.ac.in/id/eprint/9044