Hydrogen adsorption study on mixed oxides using the density functional theory

Journal of Physics and Chemistry of Solids

Volumn 74, Issue 4, 2013, Pages 558-564

  Salam, M Abdus ^a   Sufian, Suriati ^a   Lwin, Ye ^a  

^a DEPARTMENT OF CHEMICAL ENGINEERING   (Malaysia)

Author keywords

A. Reduced mixed oxide; B. Chemical synthesis; C. Density functional theory; D. Favorable thermodynamics; D. Phase equilibria

Indexed keywords

CHEMICAL SYNTHESIS; COBALT AND NICKELS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DYNAMIC ADSORPTION; ELECTROPHILICITIES; EXPERIMENTAL INVESTIGATIONS; HYDROGEN ADSORPTION; HYDROGEN ADSORPTION CAPACITY; HYDROGEN CAPACITIES; HYDROGEN STORAGE CAPACITIES; HYDROGEN STORAGE MATERIALS; MINIMUM ENERGY; MIXED OXIDE; NICKEL AND COBALTS; REACTION ENTHALPIES; REACTIVITY DESCRIPTORS; THERMOCHEMISTRY ANALYSIS;

ADSORPTION; CHEMISORPTION; COBALT; COBALT COMPOUNDS; HYDROGEN STORAGE; NICKEL; PHASE EQUILIBRIA; QUANTUM CHEMISTRY; THERMOCHEMISTRY; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 84874114232     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2012.12.004     Document Type: Article

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