Theoretical prediction and synthesis of CSxFy thin films
2016 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 17, 9527-9534 p.Article in journal (Refereed) Published
A new carbon-based compound: CSxFy was addressed by density functional theory calculations and synthesized by reactive magnetron sputtering. Geometry optimizations and energy calculations were performed on graphene-like model systems containing sulfur and fluorine atoms. It is shown that [S+F] concentrations in the range of 0−10 at.%, structural ordered characteristics similar to graphene pieces containing ring defects are energetically feasible. The modeling predicts that CSxFy thin films with graphite and fullerene-like characteristics may be obtained for the mentioned concentration range. Accordingly, thin films were synthesized from a graphite solid target and sulfur hexafluoride as reactive gas. In agreement with the theoretical prediction, transmission electron microscopy characterization and selected area electron diffraction confirmed the presence of small ordered clusters with graphitic features in a sample containing 0.4 at.% of S and 3.4 at.% of F.
Place, publisher, year, edition, pages
American Chemical Society (ACS), 2016. Vol. 120, no 17, 9527-9534 p.
IdentifiersURN: urn:nbn:se:liu:diva-121470DOI: 10.1021/acs.jpcc.6b02718ISI: 000375631100060OAI: oai:DiVA.org:liu-121470DiVA: diva2:855443
funding agencies: Swedish Foundation for Strategic Research (SSF) [RMA11-0029]; Carl Trygger Foundation for Scientific Research; Swedish Research Council [642-2013-8020]; ERC ; Knut and Alice Wallenberg Foundation; Swedish Government Strategic Research Area in Materials at Linkoping University
Vid tiden för disputation förelåg publikationen som manuskript2015-09-212015-09-212016-08-31Bibliographically approved