Molecular dynamic studies of chemical reactions at semiconductor surfaces Academic Article uri icon


  • We have performed molecular dynamics simulations for O, C, and N atoms released at the GaAs(110) surface, and have observed the formation of CO, NO, and N2. In most cases these molecules formed under the surface. This formation was accompanied by a disruption of the GaAs bonds. In those cases where CO, NO, and N2 formed above the surface, the energy was found to be higher, and bond disruption was minimal. © 1988.

author list (cited authors)

  • Menon, M., & Allen, R. E.

citation count

  • 1

publication date

  • January 1988