TY - JOUR
T1 - The chemistry of simple alkene molecules on Si(100)c(4 × 2)
T2 - The mechanism of cycloaddition and their selectivities
AU - Akagi, Kazuto
AU - Yoshinobu, Jun
N1 - Funding Information:
The computation in this work was performed using the supercomputer system of ISSP at the University of Tokyo. This work was partially supported by the World Premier Research Center Initiative (WPI) promoted by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan and by the Grant-in-Aid for Scientific Research on Innovative Areas “3D Active-Site Science”.
Publisher Copyright:
© 2016 Elsevier B.V.
PY - 2016/10/1
Y1 - 2016/10/1
N2 - The chemistry of simple alkene molecules on the Si(100) surface is reviewed with the newly-produced visual presentation by theoretical calculations. The early pioneering studies by the Kyoto Group and Pittsburgh group reported the di–σ bond formation and the precursor-mediated chemisorption for acetylene and ethylene on Si(100), respectively. Thereafter, these studies have been stimulating various studies of organic molecules on Si surfaces. Our recent studies have observed the precursor states for alkene chemisorption and elucidated the microscopic mechanisms of the di–σ bond formation (cycloaddition) with the help of theoretical calculations; the site-, stereo- and regio-selective chemisorption of simple alkene molecules on Si(100)c(4 × 2) has been established.
AB - The chemistry of simple alkene molecules on the Si(100) surface is reviewed with the newly-produced visual presentation by theoretical calculations. The early pioneering studies by the Kyoto Group and Pittsburgh group reported the di–σ bond formation and the precursor-mediated chemisorption for acetylene and ethylene on Si(100), respectively. Thereafter, these studies have been stimulating various studies of organic molecules on Si surfaces. Our recent studies have observed the precursor states for alkene chemisorption and elucidated the microscopic mechanisms of the di–σ bond formation (cycloaddition) with the help of theoretical calculations; the site-, stereo- and regio-selective chemisorption of simple alkene molecules on Si(100)c(4 × 2) has been established.
KW - Cycloaddition of alkene to Si surface
KW - Electron energy loss spectroscopy
KW - First principles calculations
KW - Precursor-mediated chemisorption
KW - Regio-selective
KW - Scanning tunneling microscopy
KW - Site-selective
KW - Stereo-selective
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U2 - 10.1016/j.susc.2016.03.027
DO - 10.1016/j.susc.2016.03.027
M3 - Article
AN - SCOPUS:84977577137
SN - 0039-6028
VL - 652
SP - 304
EP - 311
JO - Surface Science
JF - Surface Science
ER -