Parametrization of the Fe–Owater cross-interaction for a more accurate Fe3O4/water interface model and its application to a spherical Fe3O4 nanoparticle of realistic size-Reference-Cited by-同舟云学术

Parametrization of the Fe–Owater cross-interaction for a more accurate Fe3O4/water interface model and its application to a spherical Fe3O4 nanoparticle of realistic size

Published:2021-01-21 Issue:3 Volume:154 Page:034702
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Siani Paulo¹^ORCID,Bianchetti Enrico¹,Liu Hongsheng¹²^ORCID,Di Valentin Cristiana¹^ORCID

Affiliation:

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

2. Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024, China

Funder

H2020 European Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0035678

Reference37 articles.

1. Model catalyst studies with single crystals and epitaxial thin oxide films

2. Reaction of water with the (100) and (111) surfaces of Fe3O4

3. X-ray Photoemission and Density Functional Theory Study of the Interaction of Water Vapor with the Fe3O4(001) Surface at Near-Ambient Conditions

4. Room Temperature Water Splitting at the Surface of Magnetite

5. Partial Dissociation of Water onFe3O4(001): Adsorbate Induced Charge and Orbital Order

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