Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions

Author:

Arrigoni Federica1234ORCID,Bertini Luca1234ORCID,Breglia Raffaella12345ORCID,Greco Claudio12345ORCID,De Gioia Luca1234,Zampella Giuseppe1234ORCID

Affiliation:

1. Department of Biotechnology and Biosciences

2. University of Milano – Bicocca

3. 20126 Milan

4. Italy

5. Department of Earth and Environmental Sciences

Abstract

A DFT overview on selected issues regarding diiron catalysts related to [FeFe]-hydrogenase biomimetic research, with implications for both energy conversion and storage strategies.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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