A DFT study of cyclopropane adsorption on Pt(1 1 1). Electronic structure and bonding

Applied Surface Science

Volumn 303, Issue , 2014, Pages 324-330

  German E ^a   Lopez Corral I ^a   Pirillo, S ^a   Juan, A ^a   Brizuela, G ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

Adsorption; Bonding; Cyclopropane; DFT; Pt(1 1 1)

Indexed keywords

BONDING; CHEMICAL BONDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; PROPANE; VAN DER WAALS FORCES;

BONDING CONFIGURATIONS; BONDING INTERACTIONS; CYCLOPROPANE; CYCLOPROPANE RING; EQUILIBRIUM DISTANCES; MOLECULAR ADSORBATE; PREFERENTIAL ADSORPTION; PT(111);

ADSORPTION;

EID: 84897987365     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.02.177     Document Type: Article

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