ArticleJournal of molecular modeling2009
Adsorption of CO on Cu (110) and (100) surfaces using COSMO-based DFT.
Article in Journal of molecular modeling, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed, 28 citations in OpenAlex.
- Interaction of Br with Cu(100) surface: adsorption and thermodynamics stability study.RSC advances · 2025Article
- Why Including Solvation is Paramount: First-Principles Calculations of Electrochemical COChemPlusChem · 2025Article
- Effect of surface hydroxyls on DME and methanol adsorption over γ-Al(2)O(3) (hkl) surfaces and solvent effects: a density functional theory study.Journal of molecular modeling · 2012Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Density functional theory (DFT) combined with the conductor-like solvent model (COSMO) can provide valuable atomistic level insights into CO adsorption on Cu surface interactions in liquid paraffin. The objective of this research was to investigate the solvent effect of liquid paraffin. It was found that both structural parameters and relative energies are very sensitive to the COSMO solvent model. Solvent effects can improve the stability of CO adsorption on Cu (110) and (100) surfaces and the extent of CO activation.
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