A computational study on adsorption configurations and dissociative reactions of the HN3 molecule on the TiO2 anatase (101) surface

Journal of Physical Chemistry C

Volumn 112, Issue 46, 2008, Pages 18017-18027

  Chang, Jee Gong ^a   Ju, Shin Pon ^b   Chang, Ching Sheng ^b  

^a NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^b NATIONAL SUN YAT SEN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; ADSORPTION; DISSOCIATION; OXIDE MINERALS; SURFACE STRUCTURE; TITANIUM DIOXIDE; TITANIUM OXIDES;

ADSORPTION ENERGIES; COMPUTATIONAL STUDIES; DISSOCIATIVE ADSORPTIONS; ENERGY LEVELS; FIRST-PRINCIPLES CALCULATIONS; RUTILE SURFACES;

SURFACE REACTIONS;

EID: 57249087351     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8050559     Document Type: Article

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