Density Functional Theory (DFT) computation of the Oxygen Reduction Reaction (ORR) on Titanium Nitride (TiN) surface

Electrochimica Acta

Volumn 141, Issue , 2014, Pages 25-32

  Seifitokaldani, A ^a   Savadogo, O ^a   Perrier, M ^a  

^a ÉCOLE POLYTECHNIQUE DE MONTRÉAL   (Canada)

Author keywords

Computation; Density Functional Theory; DFT; ORR; Oxygen Reduction Reaction; TiN; Titanium Nitride; VASP

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DESORPTION; ELECTROLYTIC REDUCTION; GAS ADSORPTION; OXYGEN; TIN;

ADSORPTION AND DESORPTIONS; ADSORPTION ENERGIES; DFT; DISSOCIATIVE ADSORPTION; ORR; OXYGEN REDUCTION REACTION; VASP; VIENNA AB-INITIO SIMULATION PACKAGES;

TITANIUM NITRIDE;

EID: 84905683016     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2014.07.027     Document Type: Article

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