DFT-D2 Study of the Adsorption and Dissociation of Water on Clean and Oxygen-Covered {001} and {011} Surfaces of Mackinawite (FeS)
Author:
Affiliation:
1. Department of Earth Sciences, Utrecht University, Princetonplein 9, 3584 CC, Utrecht, The Netherlands
2. School of Chemistry, Cardiff University, Main Building, Park Place, CF10 3AT, Cardiff, United Kingdom
Funder
Stichting voor Fundamenteel Onderzoek der Materie
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b06122
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1. Photoelectrochemistry of Highly Quantum Efficient Single‐Crystalline n ‐ FeS2 (Pyrite)
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4. Colloidal Iron Pyrite (FeS2) Nanocrystal Inks for Thin-Film Photovoltaics
5. Energetic characterization of the photoactive FeS2 (pyrite) interface
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