Solvation of cationic copper clusters in molecular hydrogen-Reference-Cited by-同舟云学术

Solvation of cationic copper clusters in molecular hydrogen

Published:2023 Issue:37 Volume:25 Page:25251-25263
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lushchikova O. V.¹^ORCID,Reichegger J.¹^ORCID,Kollotzek S.¹^ORCID,Zappa F.¹^ORCID,Mahmoodi-Darian M.²^ORCID,Bartolomei M.³,Campos-Martínez J.³^ORCID,González-Lezana T.³^ORCID,Pirani F.⁴^ORCID,Scheier P.¹^ORCID

Affiliation:

1. Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, Innsbruck 6020, Austria

2. Department of Physics, Karaj Branch, Islamic Azad University, Karaj, Iran

3. Instituto de Física Fundamental, IFF-CSIC, Serrano 123, Madrid 28006, Spain

4. Dipartimento di Chimica, Biologia e Biotecnologie, Universita’ di Perugia, 06123 Perugia, Italy

Abstract

We underscore a solid agreement between experimental and computational studies on solvation of pristine/protonated Cun+ (n = 1–2) in H2. For instance, with n = 1, the initial shell comprises four covalently bound H2; subsequent ones are non-covalent.

Funder

Austrian Science Fund

Ministerio de Ciencia e Innovación

European Cooperation in Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03452F

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2. Catalytic Hydrogenation of CO2 to Methanol: A Review

3. Comprehensive review of Cu-based CO2 hydrogenation to CH3OH: Insights from experimental work and theoretical analysis

4. Electrochemical CO₂reduction to C₂₊products using Cu-based electrocatalysts: A review

5. Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 Functionals