Аннотация
We present a theoretical study of the charging effects in single and
double layer black phosphorus quantum dots (BPQDs) with lateral sizes of
2 nm and 3 nm. We demonstrate that the charging of BPQDs are able to
store up to an N-max electron (that depends on the lateral size and
number of layers in the QD), after which structural instabilities
arises. For example, 3 nm wide hydrogen-passivated single layer BPQDs
can hold a maximum of 16 electrons, and an additional electron causes
the expelling of hydrogen atoms from the QD borders. We also calculated
the addition energy (EA) spectrum. For single-layer QDs with 2 and 3 nm
lateral sizes, the average EA is around 0.4 eV and 0.3 eV, respectively.
For double layer QDs with the same sizes, the average EA is around 0.25
eV and 0.2 eV, respectively.
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