Chemical vapor deposition
Molecular orbital theory
Polymer and Materials Science
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Quantum mechanical studies of the decomposition pathways of model OMCVD precursors are analyzed, in particular kinetic trends as a function of OMCVD precursors components-metal (M), element (E), ancillary ligands (Ln), element substituents (Z), transfer group (At) and leaving group (X), 1. Based on geometric and energetic effects it is possible to further subdivide these components into three groups: active site (M, E), participants (At, X), and spectators (Ln, Z). Considerable progress has been made over the past several years, although many challenges remain in quantum modeling of transition metal materials and reactions pertinent to their CVD from volatile organometallics. Computational improvements in methods and technology are briefly discussed in relation to quantum modeling of OMCVD precursor structure and reactivity. Future directions are considered in which to more closely integrate the results of quantum modeling of OMCVD reactions with other aspects in this diverse research area.
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