Developing descriptors for CO2 methanation and CO2 reforming of CH4 over Al2 O3 supported Ni and low-cost Ni based alloy catalysts

Physical Chemistry Chemical Physics : PCCP
Koustuv RayGoutam Deo

Abstract

The catalytic performance of Ni can be modified by alloying with a suitable amount (25% of total metal loading) of another low-cost metal such as Fe, Co or Cu. These alumina supported Ni and Ni based alloy catalysts are gaining attention for certain important reactions due to their promising activity, stability, selectivity and low-cost. The reduced form of the supported Ni-M (M = Fe, Co or Cu) catalysts formed different Ni-M alloys. To understand the reactivity trends for CO2 methanation and CO2 reforming of CH4 (DRM), we analyzed the correlations between turnover frequencies and the d-density of states (d-DOS) based electronic properties of surface Ni in Ni and Ni-M model catalysts. The composition and components of the most active catalysts for each reaction were different. The dissimilar trend in activity of the Ni and Ni-M alloy catalysts resulted in different descriptors for the two reactions. The Ni-Fe alloy catalyst (with a Ni to Fe ratio of 3 : 1) was the most active in CO2 methanation due to the minimum number of Ni d-density of states at the EF. In contrast, the Ni-Co alloy catalyst (with a Ni to Co ratio of 3 : 1) was the most active in the CO2 reforming of CH4 due to the lowest d-band center (with respect to Ni d-d...Continue Reading

References

Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
May 11, 2007·Journal of the American Chemical Society·Luis E MurilloJingguang G Chen
Sep 27, 2008·Chemical Society Reviews·Jens K NørskovClaus H Christensen
Feb 10, 2009·Journal of the American Chemical Society·Eranda NikollaSuljo Linic
Jan 12, 2011·Proceedings of the National Academy of Sciences of the United States of America·Jens K NørskovThomas Bligaard
Apr 1, 2009·Nature Chemistry·J K NørskovC H Christensen
Jul 3, 2013·Physical Chemistry Chemical Physics : PCCP·Maarten K SabbeGuy B Marin
Jul 6, 2014·Physical Chemistry Chemical Physics : PCCP·Shinya FurukawaTakayuki Komatsu
Oct 2, 2014·Physical Chemistry Chemical Physics : PCCP·Hideki AbeTakayuki Komatsu
Nov 1, 2016·Nature Materials·Allegra A LatimerJens K Nørskov

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Citations

Dec 31, 2020·Nanomaterials·Anastasios I TsiotsiasMaria A Goula

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Methods Mentioned

BETA
transmission electron microscopy
X-ray
electron diffraction

Software Mentioned

CASTEP

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