High thermoelectric and optical conductivity driven by the interaction of Boron and Nitrogen dopant atoms with a 2D monolayer Beryllium Oxide
Nzar Rauf Abdullah,
Botan Jawdat Abdullah,
Vidar Gudmundsson
Abstract:The electronic, thermal and optical properties of a monolayer BeO with Boron (B) and Nitrogen (N) co-dopant atoms are studied by means of a density functional theory computation. Our calculations reveal that BeO with BNcodopant atoms can give rise to more effective and outstanding performance for the thermal and optical responses. More significantly, the monolayer BeO with BN codopant atoms becomes a semiconductor with a direct band gap in comparison with the insulator behavior of pristine BeO. The particular … Show more
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