Oxidation and Equilibrium Morphology of Zirconium Carbide Low Index Surfaces Using DFT and Atomistic Thermodynamic Modeling-Reference-Cited by-同舟云学术

Oxidation and Equilibrium Morphology of Zirconium Carbide Low Index Surfaces Using DFT and Atomistic Thermodynamic Modeling

Published:2016-04-19 Issue:16 Volume:120 Page:8759-8771
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-François¹,Lucas Romain²,Foucaud Sylvie²,Cristol Sylvain¹

Affiliation:

1. Univ. Lille, CNRS, ENSCL, Centrale Lille, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et de Chimie du Solide, F-59000 Lille, France

2. Laboratoire Science des Procédés Céramiques et de Traitements de Surface (SPCTS), UMR-CNRS 7315, Centre Européen de la Céramique, 87068 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/acs.jpcc.6b01460

Reference30 articles.

1. Structure, bonding, and adhesion at the ZrC(100)/Fe(110) interface from first principles

2. Stability, equilibrium morphology and hydration of ZrC(111) and (110) surfaces with H2O: a combined periodic DFT and atomistic thermodynamic study

3. Oxygen adsorption on a ZrC(111) surface: angle-resolved photoemission study

4. Pastor, H.Les Carbures Réfractaires.Ed. Ind. Céram. Fr. 1977.

Cited by 15 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Enhancing oxidation resistance of MoAlB based on its anisotropic oxidation mechanism: A theoretical calculation guided experimental investigation;Acta Materialia;2024-01

2. Pyrolysis process and formation mechanism of water-based ZrC ceramics studied through a combined experimental and theoretical calculational method;Materials Chemistry and Physics;2023-12

3. Impact of Surface Oxidation on the Morphology of Uranium Dioxide Nanoparticles;Inorganic Chemistry;2023-09-06

4. Structure and energetics of ZrC(100)||c-ZrO2(001) interface: A combination of experiments, finite temperature molecular dynamics, periodic DFT and atomistic thermodynamic modeling;Ceramics International;2022-08

5. Characterizing the ZrC(111)/c-ZrO2(111) Hetero-Ceramic Interface: First Principles DFT and Atomistic Thermodynamic Modeling;Molecules;2022-05-05