Adsorption of H2S molecules on non-carbonic and decorated carbonic graphenes: A van der Waals density functional study

Computational Materials Science

Volumn 92, Issue , 2014, Pages 127-134

  Ganji, M D ^a   Sharifi, N ^b   Ahangari, M Ghorbanzadeh ^c  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c UNIVERSITY OF MAZANDARAN   (Iran)

Author keywords

Adsorption; First principles vdW DF; Graphene; Sensor

Indexed keywords

ADSORPTION; ALUMINUM; BINDING ENERGY; CALCULATIONS; ELECTRONIC PROPERTIES; GALLIUM NITRIDE; MOLECULES; SENSORS; VAN DER WAALS FORCES; GAS ADSORPTION; NITRIDES;

ADSORPTION ENERGIES; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL STUDY; EQUILIBRIUM GEOMETRIES; FIRST-PRINCIPLES VDW-DF; MOLECULE ADSORPTIONS; STABLE CONFIGURATION; FIRST PRINCIPLES; H2S;

GRAPHENE;

EID: 84902843856     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.05.035     Document Type: Article

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