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Abstract

The structural, geometric and electronic prosperities of most stable indium oxide (In2O3) shapes in the neutral state and in both open and close forms are studied and investigated using density function theory (DFT). The ball shape structure in neutral quintet is preferred over all the other possible structures for the neutral shape. The lowest energy geometric prefers the Y shape arrangement in triplet state. The energy gap (Egap) of the most stable indium oxide shapes as a function to the shapes is also discussed.

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Indium oxide theoretical study DFT

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