Articles with "experiments dft" as a keyword



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Mechanistic insights into the conversion of Ga2O3 to GaN using TGA experiments and DFT modeling

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Published in 2021 at "Applied Surface Science"

DOI: 10.1016/j.apsusc.2021.150015

Abstract: Abstract TG experiments and DFT calculations were used to investigate the mechanism of gallium oxide nitridation to gallium nitride. The overall conversion of the gas-solid reaction can be best described by a modified integrated model… read more here.

Keywords: conversion; activation energy; ga2o3; experiments dft ... See more keywords