Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H2, O2, and H2O Molecules on Bare and Oxygen Modified ZrC (100) Surface-Reference-Cited by-同舟云学术

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H2, O2, and H2O Molecules on Bare and Oxygen Modified ZrC (100) Surface

Published:2014-06-09 Issue:24 Volume:118 Page:12952-12961
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Osei-Agyemang Eric¹,Paul Jean Francois¹,Lucas Romain²,Foucaud Sylvie²,Cristol Sylvain¹

Affiliation:

1. Unité de Catalyse et Chimie du Solide (UCCS), UMR-CNRS 8181, Université Lille 1, 59655 Villeneuve d’Ascq, Lille, France

2. Science des Procédés Céramiques et de Traitements de Surface (SPCTS), UMR-CNRS 7315, Centre Européen de la Ceramique− Institut des Procédés Appliqués aux Matériaux, Limoges, France

Funder

Agence Nationale de la Recherche

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/jp503208n

Reference32 articles.

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4. Effect of the polycarbosilane structure on its final ceramic yield

5. Polymer Derived Engineering Ceramics

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