Penetration of alkali atoms throughout a graphene membrane: theoretical modeling
2012 (English)In: NANOSCALE, ISSN 2040-3364, Vol. 4, no 5, 1749-1753 p.Article in journal (Refereed) Published
Theoretical studies of penetration of various alkali atoms (Li, Na, Rb, Cs) throughout a graphene membrane grown on a silicon carbide substrate are reported and compared with recent experimental results. Results of first principles modeling demonstrate a rather low (about 0.8 eV) energy barrier for the formation of temporary defects in the carbon layer required for the penetration of Li at a high concentration of adatoms, a higher (about 2 eV) barrier for Na, and barriers above 4 eV for Rb and Cs. Experiments prove migration of lithium adatoms from the graphene surface to the buffer layer and SiC substrate at room temperature, sodium at 100 degrees C and impenetrability of the graphene membrane for Rb and Cs. Differences between epitaxial and free-standing graphene for the penetration of alkali ions are also discussed.
Place, publisher, year, edition, pages
Royal Society of Chemistry , 2012. Vol. 4, no 5, 1749-1753 p.
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-75729DOI: 10.1039/c2nr11892kISI: 000300433700055OAI: oai:DiVA.org:liu-75729DiVA: diva2:508703
Funding Agencies|European Science Foundation||Euro-GRAPHENE||EU||2012-03-092012-03-092012-03-09