Sökning: "Methylamine NH2CH3"

Hittade 1 uppsats innehållade orden Methylamine NH2CH3.

1. 1. Quantum Chemical Feasibility Study of Methylamines as Nitrogen Precursors in Chemical Vapor Deposition

   Kandidat-uppsats, Linköpings universitet/Kemi

   Författare :Karl Rönnby; [2015]
   Nyckelord :Quantum Chemistry; Computational Chemistry; Density Functional Theory DFT ; B3LYP; Gaussian 4 G4 ; Chemical Vapor Deposition CVD ; Gallium Nitride GaN ; Aluminum Nitride AlN ; Ammonia NH3 ; Methylamine NH2CH3 ; Dimethylamine NH CH3 2 ; Trimethylamine NH CH3 3 ; Trimethylaluminum TMA ; Trimethylgallium TMG ; Decomposition; Adsorption;

   Sammanfattning : The possibility of using methylamines instead of ammonia as a nitrogen precursor for the CVD of nitrides is studied using quantum chemical computations of reaction energies: reaction electronic energy (Δ𝑟𝐸𝑒𝑙𝑒𝑐) reaction enthalpy (Δ𝑟𝐻) and reaction free energy (Δ𝑟𝐺). The reaction energies were calculated for three types of reactions: Uni- and bimolecular decomposition to more reactive nitrogen species, adduct forming with trimethylgallium (TMG) and trimethylaluminum (TMA) followed by a release of methane or ethane and surface adsorption to gallium nitride for both the unreacted ammonia or methylamines or the decomposition products. LÄS MER