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Stable molecular orientations of a C60 dimer in a photoinduced dimer row by Shigeru Tsukamoto; Tomonobu Nakayama; Masakazu Aono is a Materials Science article available to read on EtoBox.
What is Stable molecular orientations of a C60 dimer in a photoinduced dimer row about?
We present a theoretical study on stable orientations of photoinduced C 60 dimers in a C 60 monolayer film, on the basis of first-principles calculations within the framework of the density functional theory. Using Tersoff and Hamann's tunnel current theory, current images of scanning tunneling microscopy (STM) for a C 60 dimer in several different orientations are reproduced from the spatial distribution of the wave functions of an isolated C 60 dimer. Comparing the resultant current images with experimentally obtained STM images, in consequence, two stable orientations of C 60 dimers are determined: one is that a C-C double bond shared by two adjacent hexagons faces to vacuum, and the other is that a C-C single bond shared by a hexagon and an adjacent pentagon faces to vacuum. These orientations are supported by empirical total-energy calculations.
Who reads Stable molecular orientations of a C60 dimer in a photoinduced dimer row?
It is typically read by researchers, students, and practitioners in Materials Science.
- Author
- Shigeru Tsukamoto; Tomonobu Nakayama; Masakazu Aono
- Publisher
- Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0008-6223)
- Published
- 2007
- Language
- EN
- Field
- Materials Science (Physical Sciences)