Characterization of aza-fullerene C58N2 isomers by X-ray spectroscopy
2003 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 371, no 02-jan, 98-104 p.Article in journal (Refereed) Published
X-ray photoelectron and near-edge X-ray absorption fine-structure spectra (NEXAFS) of four isomers of C58N2 are predicted by means of density-functional theory calculations. A strong isomer dependence for both types of spectra are found. The spectroscopic findings are discussed in conjunction with results from electronic and geometric structure optimizations.
Place, publisher, year, edition, pages
2003. Vol. 371, no 02-jan, 98-104 p.
carbon onions, films, (c59n)(2), xps
IdentifiersURN: urn:nbn:se:kth:diva-22360DOI: 10.1016/s0009-2614(03)00176-3ISI: 000181788000016OAI: oai:DiVA.org:kth-22360DiVA: diva2:341058
QC 201005252010-08-102010-08-102010-11-01Bibliographically approved