Title | A First-Principles-Based Sub-Lattice Formalism for Predicting Off-Stoichiometry in Materials for Solar Thermochemical Applications: The Example of Ceria |
Publication Type | Journal Article |
Year of Publication | 2020 |
Authors | G. Gautam S, Stechel E.B, Carter E.A |
Journal | Advanced Theory and Simulations |
Volume | 3 |
Issue | 9 |
Keywords | off-stoichiometric materials, sub-lattice models, thermodynamic modeling |
DOI | 10.1002/adts.202000112 |
Zotero Collection