TY - JOUR
T1 - Adsorption and electronic structure of single C60F18 molecule on Si(1 1 1)-7 × 7 surface
AU - Bakhtizin, R. Z.
AU - Oreshkin, A. I.
AU - Murugan, P.
AU - Kumar, Vijay
AU - Sadowski, J. T.
AU - Fujikawa, Y.
AU - Kawazoe, Y.
AU - Sakurai, T.
N1 - Funding Information:
We thank Prof. Lev N. Sidorov (MSU) for providing us with C 60 F 18 fullerenes and the staff of the CCMS, IMR for allowing the use of the Hitachi SR11000 supercomputer. RZB, AIO, and VK gratefully acknowledge the hospitality at IFCAM-IMR. This work is partly supported by RFBR (Grants No 09-02-01306-a, 08-02-00658-a) and by the Russian National Grant for technical regulation and metrology.
PY - 2009
Y1 - 2009
N2 - Spatially resolved images of an individual C60F18 molecule on Si(1 1 1)-7 × 7 surface obtained from STM and ab initio calculations show that the fluorofullerene molecules interact with the Si(1 1 1) surface with F atoms pointing down towards the surface. A large electric dipole moment of the molecule induces strong polarization on the surface but the charge transfer is small. Comparison between the experimental and calculated images indicates that during the time of image collection, some of the F atoms move to the surface due to F binding energy on a Si surface being nearly twice of the mean value on the C60 molecule.
AB - Spatially resolved images of an individual C60F18 molecule on Si(1 1 1)-7 × 7 surface obtained from STM and ab initio calculations show that the fluorofullerene molecules interact with the Si(1 1 1) surface with F atoms pointing down towards the surface. A large electric dipole moment of the molecule induces strong polarization on the surface but the charge transfer is small. Comparison between the experimental and calculated images indicates that during the time of image collection, some of the F atoms move to the surface due to F binding energy on a Si surface being nearly twice of the mean value on the C60 molecule.
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U2 - 10.1016/j.cplett.2009.10.020
DO - 10.1016/j.cplett.2009.10.020
M3 - Article
AN - SCOPUS:72249098325
VL - 482
SP - 307
EP - 311
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -