Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts with Density Functional Theory: Role of the Functional-Reference-Cited by-同舟云学术

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Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts with Density Functional Theory: Role of the Functional

Published:2022-09-04 Issue: Volume: Page:2200513
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Advcd Theory and Sims

Author:

Barlocco Ilaria¹^ORCID,Cipriano Luis A.¹^ORCID,Di Liberto Giovanni¹^ORCID,Pacchioni Gianfranco¹^ORCID

Affiliation:

1. Dipartimento di Scienza dei Materiali Università di Milano–Bicocca via R. Cozzi 55 Milano 20125 Italy

Funder

European Cooperation in Science and Technology

Fondazione Cariplo

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202200513

Reference63 articles.

1. Toward practical solar hydrogen production – an artificial photosynthetic leaf-to-farm challenge

2. Solar Water Splitting Cells

3. Heterogeneous photocatalyst materials for water splitting

4. Nanostructured catalysts for electrochemical water splitting: current state and prospects

5. Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

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1. Different role of ruthenium and platinum defective sites on the catalytic activity for the hydrogen evolution reaction;Catalysis Today;2024-12

2. Theoretical evaluation of M/H-magadiite and Al modified M/H-[Al]-magadiites single-atom catalysts (M = Ag, Au, Pd, and Pt);Surface Science;2024-10

3. Single-Site Catalysts for the Oxygen Reduction Reaction: Why Iron Is Better than Platinum;ACS Catalysis;2024-09-14

4. Stability and Solvation of Key Intermediates of Oxygen Evolution on TiO₂, RuO₂, IrO₂ (110) Surfaces: A Comparative DFT Study;ChemCatChem;2024-09-12

5. CO2 electroreduction on single atom catalysts: Role of the local coordination;Electrochimica Acta;2024-09

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