CO2 stability on the Ni low-index surfaces: Van der Waals corrected DFT analysis

Catalysis Communications

Volumn 80, Issue , 2016, Pages 33-38

  Czelej, Kamil ^a   Cwieka, Karol ^a   Kurzydlowski, Krzysztof Jan ^a  

^a WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Adsorption; CO2; Decomposition; DFT; Heterogeneous catalysis; Nickel

Indexed keywords

ADSORPTION; CARBON; CATALYSIS; CHARGE TRANSFER; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; INTERFACIAL ENERGY; MOLECULAR ORBITALS; NICKEL; POTENTIAL ENERGY; VAN DER WAALS FORCES;

BOND ORDERING; HIGH MOBILITY; LOW-INDEX SURFACES; NEGATIVE ADSORPTION; PARTIAL DENSITY OF STATE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; SURFACE BOUNDS; VAN DER WAALS;

CARBON DIOXIDE;

EID: 84962429917     PISSN: 15667367     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.catcom.2016.03.017     Document Type: Article

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