Exploring carbon-based Cu-ZnO catalyst and substitutes for enhanced selective methanol production from CO 2 : An integrated experimental and computational study.

Autor: Hasannia S; Institute for Nano Science and Nano Technology, Sharif University of Technology, 11365-9465, Tehran, Iran. Electronic address: hasanniasaeed69@yahoo.com., Kazemeini M; Institute for Nano Science and Nano Technology, Sharif University of Technology, 11365-9465, Tehran, Iran; Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran, 11365-9465, Iran. Electronic address: kazemini@sharif.ir., Tamtaji M; Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran, Iran. Electronic address: tamtajimohsen2@gmail.com., Daryanavard Roudsari B; Department of Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran. Electronic address: badri.daryanavard.roudsari@gmail.com.
Jazyk: angličtina
Zdroj: Journal of environmental management [J Environ Manage] 2024 Sep; Vol. 368, pp. 122187. Date of Electronic Publication: 2024 Aug 11.
DOI: 10.1016/j.jenvman.2024.122187
Abstrakt: Methanol, produced through the hydrogenation of carbon dioxide, is an essential intermediate compound that plays a crucial function in the production of various organic chemicals. Enhancing the design of copper-containing catalysts for the transformation of CO 2 to methanol is a popular strategy in scientific literature, although challenges persist in advancing the efficiency of carbon dioxide transformation and the selectivity of methanol production. This research aims at creating CuZnO-M/rGO (M = Mg, Mn, and Cr) catalysts using an efficient method for selectively converting CO 2 to methanol. By optimizing the operational parameters of this system, methanol productivity and CO 2 conversion efficiency are enhanced. Under optimal conditions, a CO 2 conversion rate of 23.5%, methanol selectivity of 90%, and a space-time yield of 0.47 g MeOH .g cat -1 .h -1 were achieved with the CuZnO-MgO (5)/rGO catalyst. These levels were maintained over a 100-h period, demonstrating the stability of the catalyst system. These findings are highly consistent with the density functional theory (DFT) calculations, revealing that the CuZnO-MgO (5)/rGO catalyst possesses a -0.35 eV adsorption energy for CO 2 and a favorable reaction pathway with the overpotential of 1.16 V towards methanol production emphasizing the high conversion and selectivity obtained.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 Elsevier Ltd. All rights reserved.)
Databáze: MEDLINE
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