Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation - Publication - Bridge of Knowledge

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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation

Abstract

Hydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution transmission electron microscopy. We discovered that the catalytic reaction is driven by surface tin-oxide phases, which protects the underlying Ni atoms from irreversible chemical modifications, increasing the catalyst durability. Moreover, we found that Sn content plays a key role in enhancing the H2 selectivity, with respect to secondary products such as CO2. These findings open new perspectives for the engineering of scalable and low-cost catalysts for hydrogen production.

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Category:
Articles
Type:
artykuły w czasopismach
Published in:
Journal of Physical Chemistry Letters no. 14, pages 1334 - 1342,
ISSN: 1948-7185
Language:
English
Publication year:
2023
Bibliographic description:
Mauri S., D'Olimpio G., Ghica C., Braglia L., Kuo C., Istrate M. C., Lue C. S., Ottaviano L., Klimczuk T., Boukhvalov D. W., Politano A., Torelli P.: Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation// Journal of Physical Chemistry Letters -Vol. 14,iss. 5 (2023), s.1334-1342
DOI:
Digital Object Identifier (open in new tab) 10.1021/acs.jpclett.2c03471
Sources of funding:
  • Free publication
Verified by:
Gdańsk University of Technology

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