Change search
ReferencesLink to record
Permanent link

Direct link
Comprehensive electronic structure characterization of pristine and nitrogen/phosphorus doped carbon nanocages
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0001-6508-8355
Show others and affiliations
2016 (English)In: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 103, 480-487 p.Article in journal (Refereed) PublishedText
Abstract [en]

The electronic structures of carbon nanocages (CNCs) and nitrogen/phosphorus doped carbon nanocages (N-CNCs/P-CNCs) have been studied by X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant X-ray emission spectroscopy (RXES). The doping configurations for N/P dopants are identified from the experiments. The results have shown that there are three major doping configurations for nitrogen but only one doping configuration for phosphorus. The nitrogen doping reveals the complex coexistence of graphite-like, pyridine-like and pyrrole-like configurations that are proved by density functional theory (DFT) simulations, while the phosphorus doping presents only the "graphite-like" configuration. The different configuration profiles result in less atomic structure ordering of N-CNCs than that of P-CNCs. XAS spectra obtained from both surface and bulk sensitive detection suggest different chemical environments between the interior and shell for all types of nanocages. The electronic structure modifications show significant difference between nitrogen and phosphorus doping from the DOS calculations. (C) 2016 Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
Elsevier, 2016. Vol. 103, 480-487 p.
National Category
Biological Sciences Chemical Sciences
URN: urn:nbn:se:kth:diva-185960DOI: 10.1016/j.carbon.2016.03.042ISI: 000373822100058ScopusID: 2-s2.0-84961878231OAI: diva2:926265

QC 20160504

Available from: 2016-05-04 Created: 2016-04-29 Last updated: 2016-05-04Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Li, Xin
By organisation
Theoretical Chemistry and Biology
In the same journal
Biological SciencesChemical Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 4 hits
ReferencesLink to record
Permanent link

Direct link