Quantum-chemical calculations of the enthalpies and entropies of gas-phase reactions possible in chemical vapor deposition of Group III-Group v element binary compounds

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Abstract

The results of quantum-chemical modeling of possible gas-phase reactions in chemical vapor deposition of Group III-Group V element binary compounds are generalized. Modern computational methods are shown to be capable of obtaining the thermodynamic characteristics of gas-phase reactions in agreement with experimental data. Quantum-chemical methods can be used to estimate the possibility and determine the temperature conditions of formation of oligomeric intermediates during deposition, predict the feasibility of synthesizing new rod-like inorganic polymers, and develop the concept of precursors for the controlled synthesis of III-V composites.

Original languageEnglish
Pages (from-to)515-523
Number of pages9
JournalRussian Journal of Physical Chemistry A
Volume81
Issue number4
DOIs
Publication statusPublished - Apr 2007

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Scopus subject areas

  • Physical and Theoretical Chemistry

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