Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp002101p
Title: Electronic and vibrational properties of thiophene on Si(100)
Authors: Qiao, M.H.
Cao, Y.
Tao, F.
Liu, Q. 
Deng, J.F.
Xu, G.Q. 
Issue Date: Nov-2000
Citation: Qiao, M.H., Cao, Y., Tao, F., Liu, Q., Deng, J.F., Xu, G.Q. (2000-11). Electronic and vibrational properties of thiophene on Si(100). Journal of Physical Chemistry B 104 (47) : 11211-11219. ScholarBank@NUS Repository. https://doi.org/10.1021/jp002101p
Abstract: The surface reactions of thiophene on Si(100)-2×1 have been investigated as part of a larger study on the interaction between five-membered heterocyclic aromatic molecules and silicon substrates. Using XPS, UPS, and HREELS, two adsorption states are identified at 120 K, corresponding to physisorbed and chemisorbed thiophene. The former desorbs below 200 K, whereas the latter strongly binds to the surface, showing lower C(1s) and S(2s) binding energies. HREELS reveals that chemisorbed thiophene is a 2,5-dihydrothiophene-like species which exhibits coverage-dependent reorientation from nearly parallel to tilted relative to the surface plane. Based on the frontier molecular orbital theory and work function measurements, an inverse Diels-Alder cycloaddition mechanism for thiophene with Si(100)-2 ×1 is proposed. Above 400 K, chemisorbed species either desorbs as molecular thiophene or decomposes possibly via α-thiophenyl and Si-H, and metallocycle-like intermediate and atomic S through a sulfur abstraction mechanism. By 1000 K, the S(2s) peak has disappeared, leaving silicon carbide on the substrate.
Source Title: Journal of Physical Chemistry B
URI: http://scholarbank.nus.edu.sg/handle/10635/76061
ISSN: 10895647
DOI: 10.1021/jp002101p
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

46
checked on Jul 10, 2018

WEB OF SCIENCETM
Citations

41
checked on Jun 4, 2018

Page view(s)

36
checked on Jun 8, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.