Expanding and reducing complexity in materials science models with relevance in catalysis and energy

Topics in Catalysis

Volumn 57, Issue 1-4, 2014, Pages 14-24

  Honkala, K ^a   Lodziana Z ^b   Remediakis, I N ^c   Lopez, N ^d  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^b INSTITUTE OF NUCLEAR PHYSICS   (Poland)

^c UNIVERSITY OF CRETE   (Greece)

^d INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

Author keywords

Crystal structure; Density functional theory; Reaction networks; Storage materials; Surface compositions

Indexed keywords

ATOMISTIC SIMULATIONS; COMPLEX MATERIALS; COMPLEX REACTIONS; REACTION NETWORK; SIMPLIFICATION RULES; SOCIETAL IMPLICATIONS; THEORETICAL ASPECTS; THEORETICAL SIMULATION;

CATALYSIS; CRYSTAL IMPURITIES; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY CONVERSION; SURFACE STRUCTURE;

COMPLEX NETWORKS;

EID: 84896581552     PISSN: 10225528     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11244-013-0158-3     Document Type: Article

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