A first principle study of SO 3 decomposition on silver nano-clusters: Implications toward hydrogen production

International Journal of Hydrogen Energy

Volumn 37, Issue 4, 2012, Pages 3645-3651

  Nigam, Sandeep ^a   Majumder, Chiranjib ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

Alumina surface; DFT; Silver cluster; SO 3 interaction

Indexed keywords

ALUMINA SURFACE; BOND ELONGATION; CHEMICAL INTERACTIONS; DFT; DIFFERENT SUBSTRATES; DISSOCIATION BARRIER; ELECTRONIC DENSITY; FIRST-PRINCIPLE STUDY; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERACTION ENERGIES; PARALLEL ORIENTATION; PLANE WAVE; PSEUDOPOTENTIAL METHOD; S-O BONDS; SILVER CLUSTER; SO 3 INTERACTION; THREE SYSTEMS;

ADSORPTION; ALUMINA; CHEMICAL ANALYSIS; ELECTRONIC DENSITY OF STATES; HYDROGEN PRODUCTION; MOLECULES;

ALUMINUM;

EID: 84856581798     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.06.043     Document Type: Conference Paper

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