Hexagonal nanosheets in amorphous BN: A first principles study
Source abstract
Abstract
Abstract Amorphous boron nitrite is modeled by means of first principles molecular dynamics simulations and found to be almost chemically ordered in a stark contrast to the previous predictions. Its average coordination number is 2.97. The main building unit of the amorphous network is hexagonal rings as in the most stable boron nitrite phase but chain-like structures and tetragonal-like rings also exist in amorphous network. The model consists of partially hexagonal nanosheets and hence it is not entirely disordered. Amorphous boron nitrite has a band gap energy of about 2.0 eV.
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Research context
OpenAlex topics: Graphene research and applications · Boron and Carbon Nanomaterials Research · Diamond and Carbon-based Materials Research
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References (29)
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