Related papers: Covalent Functionalized Black Phosphorus Quantum D…

Black phosphorus (BP), a two-dimensional (2D) van der Waals layered material composed of phosphorus atoms, has been one of the most actively studied 2D materials in recent years due to its tunable energy band gap (tunable even to a negative…

The electronic and piezoelectric properties of the boron nitride (BN) nanotubes are investigated with the hybrid density functional (B3LYP) method. We first study bulk h-BN and BN sheet and find that the B3LYP band structure and energy gap…

We present a comprehensive and integrated model-independent ab initio study of the structural, cohesive, electronic, and optical properties of silicon quantum dots of various morphologies and sizes in the framework of all-electron static…

Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

A theory is presented to show how near-field optical microscopy can be used to probe quantum nanostructures. Calculations are done for a quantum dot. Results for different tip/dot configurations and sizes show that near-field excitation can…

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 BN-codopant atoms can…

We study the effects of covalent functionalization of single wall carbon nanotubes (CNT) on their elastic properties. We consider simple organic molecules -NH, -NH2, -CH2, -CH3, -OH attached to CNTs' surface at various densities. The…

The electronic structure of InAs quantum dots covered with the GaAs(1-y)Sb(y) strain reducing layer has been studied using the k.p theory. We explain previous experimental observations of the red shift of the photoluminescence emission with…

The temperature dependence of the band gap is crucial to a semiconductor. Bulk black phosphorus (BP) is known to exhibit an anomalous behavior. Through optical spectroscopy, here we show that the temperature effect on BP band gap gradually…

Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…

Perovskite quantum dots (PQDs) provide a robust solution-based approach to efficient solar cells, bright light-emitting devices, and quantum sources of light. Quantifying heterogeneity and understanding coupling between dots is critical for…

A key ingredient in emerging quantum-enhanced technologies is the ability to coherently manipulate and detect superpositions of basis states. In integrated optics implementations, transverse spatial modes supported by multimode structures…

Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of graphene (G), Boron Nitride (BN) and their hybrids. Different…

We propose using Quantum Dots as novel targets to probe sub-GeV dark matter-electron interactions. Quantum dots are nanocrystals of semiconducting material, which are commercially available, with gram-scale quantities suspended in…

Atomic layers of black phosphorus (P) isolated from its layered bulk make a new two-dimensional (2D) semiconducting crystal with sizable direct bandgap, high carrier mobility, and promises for 2D electronics and optoelectronics. However,…

Gas monitoring systems based on side-polished optical fibers (SPFs) coated with functional nanomaterials are gaining growing attention for their diverse applications. The response of these sensors is commonly interpreted in terms of…

Quantum dot - graphene hybrid materials have raised significant interest due to the unique synergy of the optical properties of colloidal quantum dots (QDs) and the transport properties of graphene. This stimulated the development of…

Black phosphorus presents a very anisotropic crystal structure, making it a potential candidate for hyperbolic plasmonics, characterized by a permittivity tensor where one of the principal components is metallic and the other dielectric.…

We present a theoretical study of the structural and electronic properties of graphene monolayer functionalized with boron and nitrogen atoms substituting carbon atoms. Our study is based on the ab initio calculations in the framework of…

Fluorite structure ferroelectrics, especially hafnium oxide, are widely investigated for their application in non-volatile memories, sensors, actuators, RF devices and energy harvesters. Due to the metastable nature of the ferroelectric…