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Volumn 133, Issue 8, 2010, Pages

Dissociation of water over Ti-decorated C60

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CATALYTIC EFFECTS; FIRST-PRINCIPLES CALCULATION; HYDROGEN MOLECULE; TI ATOMS; WATER DISSOCIATION; WATER MOLECULE; WATER SPLITTING;

EID: 77956306875     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3469813     Document Type: Article
Times cited : (13)

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    • See supplementary material at http://dx.doi.org/10.1063/1.3469813 E-JCPSA6-133-032029 for reaction pathway of one water on C60 by PW91 ultrasoft pseudopotentials and HO-Ti-OH complex on C60 and two water molecules dissociation over Ti dimer adsorbed on C60.


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