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Hexagonal boron nitride (hBN) plays a central role in nanoelectronics and nanophotonics. Moreover, hBN hosts room-temperature quantum emitters and optically addressable spins, making it promising for quantum sensing and quantum photonics.…
The negatively charged boron vacancy ($\mathrm{V}_{\mathrm{B}}^-$) in hexagonal boron nitride (hBN) has garnered significant attention among defects in two-dimensional materials. This owes, in part, to its deterministic generation,…
In this work, the electronic and optical properties of a Nitrogen (N) or a Boron (B) doped BeO monolayer are investigated in the framework of density functional theory. It is known that the band gap of a BeO monolayer is large leading to…
Spin defects in hexagonal boron nitride (hBN) are promising quantum systems for the design of flexible two-dimensional quantum sensing platforms. Here we rely on hBN crystals isotopically enriched with either $^{10}$B or $^{11}$B to…
Spin defects in solid-state materials are strong candidate systems for quantum information technology and sensing applications. Here we explore in details the recently discovered negatively charged boron vacancies ($V_B^-$) in hexagonal…
This study comprehensively examined the structural, electronic, electrochemical, and energy storage properties of boron-vacancy induced porous boron nitride monolayers (BN:VB) as multifunctional materials, anodes for MIBs and H2 storage…
Hexagonal boron nitride (hBN) has been experimentally shown to exhibit room-temperature single-photon emission. This emission is attributed to defect states in the wide band-gap of hBN, which allow new optical transitions between these…
Monolayer of hexagonal boron nitride (h-BN), commonly known as "white graphene" is a promising wide bandgap semiconducting material for deep-ultaviolet optoelectronic devices. In this report, the light absorption of a single layer hexagonal…
Elemental phosphorous is believed to have several stable allotropes that are energetically nearly degenerate, but chemically reactive. To prevent chemical degradation under ambient conditions, these structures may be capped by monolayers of…
Radiative defects in hexagonal boron nitride (hBN) are active in a broad spectral range from deep ultraviolet to near-infrared wavelengths. Representatives of these defects act as bright single photon sources, spin-1 systems, and…
Atomically thin hexagonal boron nitride (h-BN), especially monolayer, has garnered increasing attention due to its intriguing optical and light-matter-interaction properties. However, its intrinsic optical properties and electronic band…
Among a variety of layered materials used as building blocks in van der Waals heterostructures, hexagonal boron nitride (hBN) appears as an ideal platform for hosting optically-active defects owing to its large bandgap ($\sim 6$ eV). Here…
The relative orientation of successive sheets, i.e. the stacking sequence, in layered two-dimensional materials is central to the electronic, thermal, and mechanical properties of the material. Often different stacking sequences have…
An extensive search for low-energy lithium defects in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method shows that the four-lithium-atom substitutional point defect is…
Graphene has demonstrated great promise for future electronics technology as well as fundamental physics applications because of its linear energy-momentum dispersion relations which cross at the Dirac point. However, accessing the physics…
We determine the electronic structure of a graphene sheet on top of a lattice-matched hexagonal boron nitride (h-BN) substrate using ab initio density functional calculations. The most stable configuration has one carbon atom on top of a…
Hexagonal boron nitride (hBN) is an emerging two dimensional material for quantum photonics owing to its large bandgap and hyperbolic properties. Here we report a broad range of multicolor room temperature single photon emissions across the…
Hexagonal boron nitride (hBN) hosts luminescent defects possessing spin qualities compatible with quantum sensing protocols at room temperature. Vacancies, in particular, are readily obtained via exposure to high-energy ion beams. While the…
Hexagonal boron nitride is widely used as a substrate for two-dimensional materials in both electronic and photonic devices. Here, we demonstrate that two-dimensional hexagonal boron nitride is also an ideal substrate for one-dimensional…
Boron vacancies (VB${^-}$) in hexagonal boron-nitride (hBN) have sparked great interest in recent years, due to their electronic spin properties. Since hBN can be readily integrated into devices where it interfaces a huge variety of other…