Isotope effect of methane adsorbed on fcc metal (1 1 1) surfaces
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.138943
Abstract: Abstract By means of the van der Waals density functional and quasi-harmonic approximation, we predict that the adsorption potential energies of CD4 on various fcc metal (1 1 1) surfaces are shallower than those of CH4, whereas… read more here.
Keywords: metal surfaces; effect methane; isotope effect; fcc metal ... See more keywords
Promotion Effect of Methane Activation on Cu(111) by the Surface-Active Oxygen Species: A Combination of DFT and ReaxFF Study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05294
Abstract: Inspired by the recent experiment results that the methane can be activated on a copper surface in the present of molecular oxygen ( J. Phys. Chem. B., 2018, 122, 855−863, DOI: 10.1021/acs.jpcb.7b0... read more here.
Keywords: oxygen; effect methane; surface; methane ... See more keywords