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Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
- Source :
- Nature Communications, Vol 9, Iss 1, Pp 1-10 (2018)
- Publication Year :
- 2018
- Publisher :
- Nature Portfolio, 2018.
-
Abstract
- Materials databases currently neglect the temperature effect on compound thermodynamics. Here the authors introduce a Gibbs energy descriptor enabling the high-throughput prediction of temperature-dependent thermodynamics across a wide range of compositions and temperatures for inorganic solids.
- Subjects :
- Science
Subjects
Details
- Language :
- English
- ISSN :
- 20411723
- Volume :
- 9
- Issue :
- 1
- Database :
- Directory of Open Access Journals
- Journal :
- Nature Communications
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.4f6f48441e84528b5fb49293d022637
- Document Type :
- article
- Full Text :
- https://doi.org/10.1038/s41467-018-06682-4