Work

The role of electronic structure in the hydrogen evolution reaction dynamics as catalyzed by Ru-based complexes

Year: 2025

Type: article

Abstract: The LUMO anti-bonding character between ruthenium and H 2 is the key to an effective catalytic ability in H 2 evolution. Theoretically probed via PES and DRC time-dependent calculations.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d5cp03035h

Authors: Andrea Severini, Camilla Ferrari, Marianna Burello, Francesco Vizza, Marco Bonechi, Riccardo Chelli, Massimo Innocenti, Fabrizio Roncaglia, Claudio Fontanesi

Institutions: University of Modena and Reggio Emilia, National Interuniversity Consortium of Materials Science and Technology, Institute for the Chemistry of OrganoMetallic Compounds, National Research Council, University of Florence, Consorzio Interuniversitario per lo Sviluppo dei Sistemi a Grande Interfase

Language: English

Topic: Electrocatalysts for Energy Conversion

Subfield: Renewable Energy, Sustainability and the Environment

Field: Energy

Domain: Physical Sciences

Open Access status: green

Funder: Ministero dell'Università e della Ricerca

Award: G4277718238

OpenAlex ID: W4414417864

FWCI: 0.142

Cites: 47

Cited by: 1

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