Ceria in an oxygen environment: Surface phase equilibria and its descriptors

Surface Science

Volumn 619, Issue , 2014, Pages 49-58

  Botu, Venkatesh ^a,b   Ramprasad, Rampi ^a   Mhadeshwar, Ashish B ^a,b  

^a UNIVERSITY OF CONNECTICUT   (United States)

^b University of Connecticut   (United States)

Author keywords

Density functional theory (DFT); First principles thermodynamics (FPT); Oxygen vacancy; Phase diagram; Surface reactivity

Indexed keywords

AMBIENT CONDITIONS; BUFFERING CAPABILITIES; CERIA BASED MATERIALS; EXCHANGE-CORRELATION FUNCTIONALS; FIRST PRINCIPLES; OXYGEN PARTIAL PRESSURE; OXYGEN VACANCY FORMATION ENERGIES; SURFACE REACTIVITY;

DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; OXYGEN; OXYGEN VACANCIES; PHASE DIAGRAMS; REDOX REACTIONS; THERMODYNAMICS;

SURFACES;

EID: 84887990124     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2013.09.019     Document Type: Article

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