Adsorption configurations and reactions of nitric acid on TiO 2 rutile (110) and anatase (101) surfaces

Journal of Physical Chemistry C

Volumn 113, Issue 15, 2009, Pages 6140-6149

  Chang, Ching Yi ^a   Chen, Hsin Tsung ^b   Lin, M C ^a,c  

^a NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

^b NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION AND REACTIONS; ADSORPTION ENERGIES; ADSORPTION PHENOMENON; CO ADSORPTIONS; DIDENTATE CONFIGURATIONS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORIES; MONODENTATE; RUTILE SURFACES; SURFACE BRIDGINGS; TI ATOMS; ULTRASOFT PSEUDOPOTENTIAL;

ACIDS; ADSORBATES; ATOMS; COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN; MOLECULAR OXYGEN; NITRIC ACID; OXIDE MINERALS; SEMICONDUCTOR QUANTUM DOTS; TITANIUM DIOXIDE; TITANIUM OXIDES;

GAS ADSORPTION;

EID: 65249174604     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp810635h     Document Type: Article

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