Title : The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical study.

Pub. Date : 2014 Nov

PMID : 25316343






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1 The computational screening of reactions for different hydrocarbons (CH4, C2H6, C3H8, C2H4, and C2H2) as readily available carbon precursors for HCN formation, potential chemical transport agents, and for controlled carbon doping of deposited GaN was carried out with the B3LYP method in conjunction with basis sets up to aug-cc-pVTZ. Methane metastasis associated lung adenocarcinoma transcript 1 Homo sapiens