TY - JOUR

T1 - 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

AU - Timoshkin, A. Yu

PY - 2007/4

Y1 - 2007/4

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=34247196193&partnerID=8YFLogxK

U2 - 10.1134/S0036024407040036

DO - 10.1134/S0036024407040036

M3 - Article

AN - SCOPUS:34247196193

VL - 81

SP - 515

EP - 523

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 4

ER -