Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations
- Author
- YUN LIU1 ; GROSSMAN, Jeffrey C1
[1] Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States - Source
Nano letters (Print). 2014, Vol 14, Num 12, pp 7046-7050, 5 p ; ref : 23 ref
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Analyse structurale Calcul ab initio Conversion énergie Densité élevée Densité énergie Enthalpie Etat métastable Haute énergie Propriété thermodynamique Simulation numérique Structure moléculaire Transformation phase 6470N 6580 6865 8260Q
- Keyword (en)
- Structural analysis Ab initio calculations Energy conversion High density Energy density Enthalpy Metastable states High energy Thermodynamic properties Digital simulation Molecular structure Phase transformations
- Keyword (es)
- Análisis estructural Densidad elevada Alta energía
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60D Equations of state, phase equilibria, and phase transitions / 001B60D70 Specific phase transitions / 001B60D70N Structural transitions in nanoscale materials
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60E Thermal properties of condensed matter / 001B60E80 Thermal properties of small particles, nanocrystals, nanotubes
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H65 Low-dimensional structures (superlattices, quantum well structures, multilayers): structure, and nonelectronic properties
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01E Chemical thermodynamics / 001C01E02 Thermodynamic properties
- Discipline
- General chemistry and physical chemistry Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 29062640
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/nl5034073 
https://dx.doi.org/10.1021/nl5034073
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