Charging energy spectrum of black phosphorus quantum dots
arXiv:1701.03651 · doi:10.1088/1361-6463/aa75e4
Abstract
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 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 additional energy () spectrum. For single layer QDs with 2 and 3 nm of lateral sizes, the average is around 0.4 eV and 0.3 eV, respectively. For double layer QDs with the same sizes, the average is around 0.25 eV and 0.2 eV, respectively.
References in corpus (18)
- The SIESTA method for ab initio order-N materials simulation
- Efficient index handling of multidimensional periodic boundary conditions
- Black phosphorus field-effect transistors
- Phosphorene: A New 2D Material with High Carrier Mobility
- Rediscovering Black Phosphorus: A Unique Anisotropic 2D Material for Optoelectronics and Electronics
- Selfconsistent order-N density-functional calculations for very large systems
- Tunable Band Gap and Anisotropic Optical Response in Few-layer Black Phosphorus
- Theory of Neutral and Charged Excitons in Monolayer Transition Metal Dichalcogenides
- Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
- Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
- Phosphorene nanoribbons, nanotubes and van der Waals multilayers
- Chemical reactivity imprint lithography on graphene: Controlling the substrate influence on electron transfer reactions
- Tuning of the electronic and optical properties of single layer black phosphorus by strain
- Phosphorene nanoribbon as a promising candidate for thermoelectric applications
- Excitons in van der Waals heterostructures: The important role of dielectric screening
- Landau levels of single layer and bilayer phosphorene
- Anisotropic exciton Stark shift in black phosphorus
- Theoretical investigation of electron-hole complexes in anisotropic two-dimensional materials