geoscience.net logo
+ Resolve Article
+ Follow Us
Follow on FacebookFollow on Facebook
Follow on TwitterFollow on Twitter

+ Translate
+ Subscribe to Site Feed
GeoScience Most Shared ContentMost Shared Content

First-principles study of bandgap effects in graphene due to hydrogen adsorption


, : First-principles study of bandgap effects in graphene due to hydrogen adsorption. Journal of Physics. Condensed Matter 24(23): 235304-235304

Hydrogen adsorption on graphene in commensurate periodic arrangements leads to bandgap opening at the Dirac point and the emergence of dispersionless midgap bands. We study these bandgap effects and their dependence on periodicity for a single hydrogen adsorbate on periodic graphene supercells using spin-polarized density-functional theory calculations. Our results show that for certain periodicities, marked by a scale factor of three, the bandgap is suppressed to a great extent, and has a special level structure around the neutrality point. We present explanations for the origin of the changes to the band structure in terms of the ab initio Hamiltonian matrix. This method may be used to obtain a more accurate tight-binding description of single hydrogen adsorption on graphene.

US$19.90

PMID: 22581023

DOI: 10.1088/0953-8984/24/23/235304


Other references

Takahashi, H.; Sakamoto, T., 2013: The role of 'mineralocorticoids' in teleost fish: relative importance of glucocorticoid signaling in the osmoregulation and 'central' actions of mineralocorticoid receptor. It has long been held that cortisol, a glucocorticoid in many vertebrates, performs glucocorticoid and mineralocorticoid actions in the teleost fish since it lacks aldosterone. However, in addition to the counterparts of tetrapod mineralocorticoid...

Garcia, E.A.; Roy, L.C.; Okada, P.J.; Perkins, S.D.; Wiebe, R.A., 2004: A comparison of the influence of hospital-trained, ad hoc, and telephone interpreters on perceived satisfaction of limited English-proficient parents presenting to a pediatric emergency department. Latinos are the fastest growing minority group in the United States with a significant percentage of this population having limited English proficiency. To determine whether mode of interpretation influences satisfaction of limited English-profici...

Ford Julie M.; Cameron Christopher P.; Patrick David M., 2000: Remote sensing characterization of soils and sensitive habitats, Camp Shelby training site, Mississippi. Journal of the Mississippi Academy of Sciences 45(1): 44-45

Gels, Ja, 1977: The storage of haylage. Landbouwmechanisatie 28 (6) 645-650

Tittmann B.R., 1977: Internal friction measurements and their implications in seismic Q structure models of the crust. Geophysical Monograph 20): 197-213

Fretwell M.D., 1990: The frail elderly creating standards of care. Spilker, B (Ed ) Quality Of Life Assessments in Clinical Trials Xxi+470p Raven Press: New York, New York, Usa Illus 225-236

Karstens, T., 1981: Rheological measurement on cellulose acetate solutions. Papier 35(12): 585-590

Greco, A.M.; Boschi, V.; Boschi, G.; de Franciscis, A., 1980: Values of a number of blood parameters and body growth of rats subjected to fetal and post-natal protein malnutrition. Nests of rats, generated by mothers receiving synthetic diets of different protein content during gestation and in post-pregnancy phase, have been kept under observation during suckling and after weaning care being taken that offspring received th...

Katon, N.; Saneyoshi, M., 1979: Recognition of various arginine transfer ribonucleic acids with arginyl-tRNA synthetase purified from human placenta. Arginyl-tRNA synthetase has been purified approximately 550 fold from crude extract of human placenta by the following purification steps: Ammonium sulfate fractionation, chromatographies of DEAE-cellulose and CM-Sephadex and Sephadex G-100 gel fi...

Ayed, K.; Haddad, N.; Tabbane, S.; Chadli, A.; Hafsia, M., 1976: Mediterranean lymphoma with alpha chain disease. Apropos of a case. La Semaine des Hopitaux 52(3): 177-182