Hindered rotation and external electric field effect of adsorbed diatomic molecules

Yu-Tai Shih, D. S. Chunu, W. N. Mei

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A finite conical well was proposed to model the surface hindering potential to which a horizontally adsorbed molecule is subjected. Eigenfunctions and eigenvalues for this model were presented. In addition to the hindering rotation, the external electric field effect on the rotational states of a horizontally adsorbed dipole molecule was also investigated by variational calculation. We found that, as with our previous result of the vertical configuration, the rotational energy levels of the horizontally adsorbed molecule exhibit oscillatory behavior when plotted as functions of the hindrance angle. On the other hand, our result showed that the Stark shifts of the rotational energies were suppressed by the conical well if the field strength is not comparable with the hindering potential. However, when the applied field is strong, large negative shifts were found. Furthermore, the plotted angular distributions of wave function showed that a very strong electric field will enduce a change of adsorption configuration from horizontal to vertical.

Original languageEnglish
Pages (from-to)819-824
Number of pages6
JournalSolid State Communications
Volume99
Issue number11
DOIs
Publication statusPublished - 1996 Jan 1

Fingerprint

Electric field effects
diatomic molecules
Molecules
electric fields
molecules
Angular distribution
shift
Surface potential
rotational states
Wave functions
configurations
Eigenvalues and eigenfunctions
Electron energy levels
field strength
eigenvectors
eigenvalues
angular distribution
energy levels
Electric fields
wave functions

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

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Hindered rotation and external electric field effect of adsorbed diatomic molecules. / Shih, Yu-Tai; Chunu, D. S.; Mei, W. N.

In: Solid State Communications, Vol. 99, No. 11, 01.01.1996, p. 819-824.

Research output: Contribution to journalArticle

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