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Solid State Ionics

Volumn 204-205, Issue 1, 2011, Pages 27-34

A theoretical study of the influence of dopant concentration on the hydration properties of yttrium-doped barium cerate

(3) Tauer, Tania a,b O'Hayre, Ryan b Medlin, J Will a,b

a University of Colorado at Boulder (United States)

b Department of Metallurgical and Materials Engineering (United States)

Author keywords

Density functional theory; Hydration; Perovskite; Thermodynamics

Indexed keywords

BARIUM CERATE; CHARGE ANALYSIS; CONDUCTING MATERIALS; DOPANT CONCENTRATIONS; DOPING LEVELS; ENTROPY MODEL; EXPERIMENTAL DATA; FIRST-PRINCIPLES; HYDRATION BEHAVIORS; HYDRATION ENTHALPY; HYDRATION ENTROPY; HYDRATION PROPERTIES; IN-SILICO; MATERIAL STRUCTURE; PROTONIC DEFECTS; STATISTICAL THERMODYNAMIC MODELS; THEORETICAL STUDY;

BARIUM; DENSITY FUNCTIONAL THEORY; ENTHALPY; ENTROPY; PEROVSKITE; SEMICONDUCTOR DOPING; THERMODYNAMICS; YTTRIUM; YTTRIUM ALLOYS;

HYDRATION;

EID: 84855264021 PISSN: 01672738 EISSN: None Source Type: Journal
DOI: 10.1016/j.ssi.2011.10.008 Document Type: Article

Times cited : (23)

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