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Hydrogen generation from additive-free formic acid decomposition under mild conditions by Pd/C: experimental and DFT studies

Sanchez Trujillo, Felipe Juan, Motta, Davide, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674, Villa, Alberto and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 2018. Hydrogen generation from additive-free formic acid decomposition under mild conditions by Pd/C: experimental and DFT studies. Topics in Catalysis 61 (3-4) , pp. 254-266. 10.1007/s11244-018-0894-5

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Abstract

Safe and efficient hydrogen generation and storage has received much attention in recent years. Herein, a commercial 5 wt% Pd/C catalyst has been investigated for the catalytic, additive-free decomposition of formic acid at mild conditions, and the experimental parameters affecting the process systematically have been investigated and optimised. The 5 wt% Pd/C catalyst exhibited a remarkable 99.9% H2 selectivity and a high catalytic activity (TOF = 1136 h−1) at 30 °C toward the selective dehydrogenation of formic acid to H2 and CO2. The present commercial catalyst demonstrates to be a promising candidate for the efficient in-situ hydrogen generation at mild conditions possibiliting practical applications of formic acid systems on fuel cells. Finally DFT studies have been carried out to provide insights into the reactivity and decomposition of formic acid along with the two-reaction pathways on the Pd (111) surface.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Advanced Research Computing @ Cardiff (ARCCA)
Cardiff Catalysis Institute (CCI)
Subjects: Q Science > QD Chemistry
Publisher: Springer Verlag
ISSN: 1022-5528
Funders: Royal Society
Date of First Compliant Deposit: 31 January 2018
Date of Acceptance: 25 January 2018
Last Modified: 05 May 2023 23:06
URI: https://orca.cardiff.ac.uk/id/eprint/108663

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