Fast Mass Transport Kinetics in B20H16: A High-Capacity Hydrogen Storage Material
- Author
- MICHEL, Kyle Jay1 ; YONGSHENG ZHANG1 ; WOLVERTON, C1
[1] Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States - Source
Journal of physical chemistry. C. 2013, Vol 117, Num 38, pp 19295-19301, 7 p ; ref : 24 ref
- Publisher
- American Chemical Society, Columbus, OH
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Cinétique Diffusion(transport) Diffusivité Défaut ponctuel Déshydrogénation Energie activation Formation défaut Interstitiel Méthode Monte Carlo Méthode fonctionnelle densité 6172J 6630 7115 7115M Matériau stockage hydrogène
- Keyword (en)
- Kinetics Diffusion Diffusivity Point defects Dehydrogenation Activation energy Defect formation Interstitials Monte Carlo methods Density functional method Hydrogen storage material
- Keyword (es)
- Formación defecto Material almacenamiento hidrógeno
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A72 Defects and impurities in crystals; microstructure / 001B60A72J Point defects (vacancies, interstitials, color centers, etc.) and defect clusters
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60F Transport properties of condensed matter (nonelectronic) / 001B60F30 Diffusion in solids
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A15 Methods of electronic structure calculations
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27784071
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jp402669u 
https://dx.doi.org/10.1021/jp402669u
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