Search: onr:"swepub:oai:DiVA.org:uu-16316" >
Dynamical core-hole...
Dynamical core-hole screening in the x-ray absorption spectra of hydrogenated carbon nanotubes and graphene
-
- Wessely, Ola (author)
- Uppsala universitet,Fysiska institutionen
-
- Sanyal, Biplab (author)
- Uppsala universitet,Fysiska institutionen
-
- Eriksson, Olle (author)
- Uppsala universitet,Fysiska institutionen
-
(creator_code:org_t)
- 2007
- 2007
- English.
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 76:16, s. 161402-
- Related links:
-
http://link.aps.org/...
-
show more...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
show less...
Abstract
Subject headings
Close
- We have calculated the electronic structure and the x-ray absorption (XA) spectrum of a hydrogenated single graphite plane, in order to simulate recent experimental results on hydrogenated single wall carbon nanotubes (SWCNT) as well as hydrogenated graphene. We find that the presence of H induces a substantial component of sp3 bonding and as a result the and * components to the electronic structure vanish. We have calculated a theoretical x-ray absorption spectrum using a multiband version of the Mahan-Nozières–De Dominicis theory. By making a fitting of the XA signal of C atoms that have H attached to them and C atoms without H in the vicinity we obtain a good representation of the experimental data and we can draw the conclusion that in the experiments [A. Nikitin et al., Phys. Rev. Lett. 95, 225507 (2005)] some 35–50 % H have been absorbed in the SWCNT.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Physics
- Fysik
Publication and Content Type
- vet (subject category)
- art (subject category)
Find in a library
To the university's database