Gas phase and surface kinetic schemes for metal organic chemical vapor deposition processes: a theoretical perspective

In this work we propose a systematic procedure of realization of detailed k inetic schemes for gas phase and surface systems. The fundamental step in t his process is the evaluation of the kinetic constants for the considered e lementary reaction. Here we propose to evaluate the kinetic constants throu gh statistical thermodynamic methods such as transition state theory using quantum chemistry calculated energies and vibrational frequencies. Differen t cases where that approach was followed are presented. In particular, we d iscuss the realization of microscopically reversible kinetic schemes for th e chemical vapor deposition of zinc sulfide and cadmium telluride from meta l-organic precursors. (C) 2000 Elsevier Science S.A. All rights reserved.