Adsorption configuration and dissociative reaction of NH3 on anatase (101) surface with and Without hydroxyl groups

Journal of Physical Chemistry C

Volumn 113, Issue 16, 2009, Pages 6663-6672

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

^a NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^b NATIONAL SUN YAT SEN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; FIRST-PRINCIPLES CALCULATION; HYDROXYL GROUPS; MONODENTATE; REACTION ENERGY BARRIERS; REACTION PATHWAYS;

ADDITION REACTIONS; ADSORBATES; ADSORPTION; DISSOCIATION; SURFACE STRUCTURE; TITANIUM DIOXIDE; TITANIUM OXIDES;

GROUP TECHNOLOGY;

EID: 67049172873     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp809724r     Document Type: Article

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