Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

Journal of Chemical Physics

Volumn 143, Issue 9, 2015, Pages

  Dzade, N Y ^a   Roldan, A ^b   De Leeuw, N H ^a,b  

^a UTRECHT UNIVERSITY   (Netherlands)

^b CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CATALYST ACTIVITY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DISPERSIONS; DISSOCIATION; MOLECULES; ORGANIC CHEMICALS; ORGANIC MINERALS; SULFUR COMPOUNDS;

ADSORPTION SITE; COMMODITY CHEMICALS; NEGATIVELY CHARGED; ORGANIC MOLECULES; ORIGIN OF LIFE; RANGE DISPERSION; STRUCTURAL TRANSFORMATION; VIBRATIONAL FREQUENCY ANALYSIS;

CARBON DIOXIDE;

EID: 84941063229     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4929470     Document Type: Article

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