Theoretical study of hydrazine adsorption on Pt(111): Anti or cis?

Surface Science

Volumn 605, Issue 15-16, 2011, Pages 1347-1353

  Agusta, Mohammad Kemal ^a   Diño, Wilson Algerico ^a   David, Melanie ^a,b   Nakanishi, Hiroshi ^a   Kasai, Hideaki ^a  

^a OSAKA UNIVERSITY   (Japan)

^b DE LA SALLE UNIVERSITY   (Philippines)

Author keywords

Adsorption on metal surfaces; Density functional theory calculation; Hydrazine; Lone pair interactions; Platinum

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION ON METALS; ADSORPTION STRUCTURES; ANTIBONDING; DENSITY FUNCTIONAL THEORY CALCULATION; ENERGY COST; FIRST-PRINCIPLES DFT CALCULATIONS; FUEL CELL TECHNOLOGIES; HIGHEST OCCUPIED MOLECULAR ORBITAL; INTERACTION STRENGTH; INTERNAL ROTATIONS; INTERNAL STRUCTURE; LONE PAIR; ORBITALS; PT(111); RE-HYBRIDIZATION; STABLE CONFIGURATION; STABLE STRUCTURES; THEORETICAL STUDY;

CHARGE TRANSFER; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; FUEL CELLS; HYDRAZINE; ION EXCHANGE; MOLECULAR MODELING; MOLECULAR ORBITALS; PLATINUM;

ADSORPTION;

EID: 79959837504     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.04.029     Document Type: Article

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