Density functional theory study of Organosulfur selective adsorption on Ag-TiO2 adsorbents

Journal of Physical Chemistry C

Volumn 118, Issue 27, 2014, Pages 14938-14947

  Hussain, A H M Shahadat ^a   McKee, Michael L ^b   Heinzel, John M ^c   Sun, Xueni ^a   Tatarchuk, Bruce J ^a  

^a AUBURN UNIVERSITY   (United States)

^b AUBURN UNIVERSITY   (United States)

^c NAVSEA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBENTS; DENSITY FUNCTIONAL THEORY; MIXTURES; NAPHTHALENE; THIOPHENE; TITANIUM DIOXIDE;

4 ,6-DIMETHYL-DIBENZOTHIOPHENE; BASIS SET SUPERPOSITION ERRORS; COMPUTATIONAL CALCULATIONS; DENSITY FUNCTIONAL THEORY STUDIES; EQUILIBRIUM SATURATION; GEOMETRY OPTIMIZATION; ORGANOSULFUR COMPOUNDS; SELECTIVE SEPARATION;

ADSORPTION;

EID: 84904310021     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp503097y     Document Type: Article

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