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High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions: Experimental Realization

Nellaiappan, S and Katiyar, NK and Kumar, R and Parui, A and Malviya, KD and Pradeep, KG and Singh, AK and Sharma, S and Tiwary, CS and Biswas, K (2020) High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions: Experimental Realization. In: ACS Catalysis, 10 (6). pp. 3658-3663.

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Official URL: https://dx.doi.org/10.1021/acscatal.9b04302


Conversion of carbon dioxide into selective hydrocarbon using a stable catalyst remains a holy grail in the catalysis community. The high overpotential, stability, and selectivity in the use of a single-metal-based catalyst still remain a challenge. In current work, instead of using pure noble metals (Ag, Au, and Pt) as the catalyst, a nanocrystalline high-entropy alloy (HEA: AuAgPtPdCu) has been used for the conversion of CO2 into gaseous hydrocarbons. Utilizing an approach of multimetallic HEA, a faradic efficiency of about 100 toward gaseous products is obtained at a low applied potential (-0.3 V vs reversible hydrogen electrode). The reason behind the catalytic activity and selectivity of the high-entropy alloy (HEA) toward CO2 electroreduction was established through first-principles-based density functional theory (DFT) by comparing it with the pristine Cu(111) surface. This is attributed to the reversal in adsorption trends for two out of the total eight intermediates - *OCH3 and *O on Cu(111) and HEA surfaces.

Item Type: Journal Article
Publication: ACS Catalysis
Publisher: American Chemical Society
Additional Information: Copyright of this article belongs to American Chemical Society
Keywords: Carbon dioxide; Catalyst activity; Catalyst selectivity; Density functional theory; Electrolytic reduction; Entropy; Hydrocarbons; Nanocrystalline alloys; Nanocrystals; Redox reactions, CO2 reduction; DFT stimulation; Experimental realizations; Gaseous hydrocarbon; Metal-based catalysts; Nanocatalysis; Redox-active; Reversible hydrogen electrodes, High-entropy alloys
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 29 Sep 2020 06:42
Last Modified: 29 Sep 2020 06:42
URI: http://eprints.iisc.ac.in/id/eprint/65170

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