Journal ArticleDOI
Adsorption and Electronic Structure of Single C60F18 Molecule on Si(111)-7×7 Surface
R. Z. Bakhtizin,A. I. Oreshkin,Palanichamy Murugan,Vijay Kumar,J. T. Sadowski,Yasunori Fujikawa,Y. Kawazoe,Toshio Sakurai +7 more
TLDR
In this paper, the authors used scanning tunneling microscopy to spatially image individual fluorofullerene C60F18 molecules on Si(111)-7×7 surface and interpreted the images with the help of ab initio calculations.Abstract:
Scanning tunneling microscopy has been used to spatially image individual fluorofullerene C60F18 molecules on Si(111)-7×7 surface. The images have been interpreted with the help of ab initio calculations. C60F18 molecules interact with the surface with F atoms pointing down, whereas a large electric dipole moment of the molecule induces strong polarization on the surface but the charge transfer is small. It has been shown that during the time of image collection, some of the F atoms migrate from fluorofullerene molecule due to F binding energy on a Si surface being nearly twice the mean value on the C60 molecule.read more
Citations
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Journal ArticleDOI
Two-dimensional superstructure formation of fluorinated fullerene on Au(111): a scanning tunneling microscopy study.
TL;DR: A two-dimensional fluorinated fullerene superstructure has been successfully formed on Au(111) and was investigated using scanning tunneling microscopy (STM) and density functional theory calculations, finding a large energy gap with the very deep HOMO as well as uniform electronic structure in the molecular layer implies a potential for application of C(60)F(36) to an electron transport layer in organic electronic devices.
Journal ArticleDOI
Real-time decay of fluorinated fullerene molecules on Cu(001) surface controlled by initial coverage
A. I. Oreshkin,D. A. Muzychenko,S. I. Oreshkin,V. A. Yakovlev,Palanichamy Murugan,Srinivasan Chandrasekaran,Vijay Kumar,R. Z. Bakhtizin +7 more
TL;DR: In this paper, the evolution of C60F18 molecules on a Cu(001) surface was studied by means of scanning tunneling microscopy and density functional theory calculations, and the results showed that fluorinated fullerenes (tortoise-shaped polar C 60F18) decay on Cu(1) surfaces by a step-by-step detachment of F atoms from the C60 cage.
Journal ArticleDOI
Density functional study on the electronic properties, polarizabilities, NICS values, and absorption spectra of fluorinated fullerene derivative C60F17CF3
TL;DR: In this article, the density functional theory of the fluorinated fullerene derivative C60F17CF3 has been systematically studied by density functional analysis, and it has been shown that the absorption spectra of C60-17-CF3 are distorted by the F and CF3 addition and the optical gaps are red shifted relative to C60.
Book ChapterDOI
Octadecafluoro[60]fullerene: when nanocarbon met metal fluoride
TL;DR: A short history of the discovery of the most iconic fluorinated fullerene molecule, C60F18, is presented in this paper, which describes its peculiar behavior in the gas phase, in solution, and in the solid state, and its interactions with other molecules and with metal and nonmetal surfaces.
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