相关论文: First-principles Engineering of Charged Defects fo…
Atomic defects in solid-state materials are building blocks for future quantum technologies, such as quantum communication networks, computers, and sensors. Until recently, a handful of defects in a small selection of host materials have…
Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we…
Paramagnetic substitutional carbon (C$_\text{B}$, C$_\text{N}$) defects in hexagonal boron nitride (hBN) are discussed as candidates for quantum bits. Their identification and suitability are approached by means of photoluminescence (PL),…
Quantum emitters in layered materials are promising candidates for applications in nanophotonics. Here we present a technique based on charge transfer to graphene for measuring the charge transition levels ($\rm E_t$) of fluorescent defects…
Quantum enhanced sensing exploits the coherent dynamics of two-level systems (TLSs) to achieve exceptional sensitivities and measurement precision that surpass classical detection limits. While platforms such as nitrogen vacancy centers in…
Defect states in 2D materials present many possible uses but both experimental and computational characterization of their spectroscopic properties is difficult. We provide and compare results from 13 DFT and ab initio computational methods…
Despite the recognition of two-dimensional (2D) systems as emerging and scalable host materials of single photon emitters or spin qubits, uncontrolled and undetermined chemical nature of these quantum defects has been a roadblock to further…
Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive…
The conversion of waste carbon dioxide (CO2) gas into valuable products and fuels through an electrocatalytic CO2 reduction reaction (CO2RR) is a promising approach. The sluggish kinetics of the CO2RR require the development of novel…
Color centers in solid state crystals have become a frequently used system for single photon generation, advancing the development of integrated photonic devices for quantum optics and quantum communication applications. In particular,…
Two-dimensional (2D) nitride materials such as hexagonal boron nitride (h-BN), graphitic carbon nitride (g-C$_3$N$_4$), and beryllonitrene (BeN$_4$) have emerged as promising candidates for next generation electronic, optoelectronic, and…
Boron vacancies in hexagonal boron nitride (hBN) are among the most extensively studied optically active spin defects in van der Waals crystals, due to their promising potential to develop two-dimensional (2D) quantum sensors. In this…
The controlled creation and manipulation of defects in 2D materials has become increasingly popular as a means to design and tune new material functionalities. However, defect characterization by direct atomic imaging is often severely…
Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…
Defect color centers in hexagonal boron nitride (hBN) have gained significant interest as single-photon emitters and spin qubits for applications in a wide range of quantum technologies. As the integration of these solid-state quantum…
Optically addressable defect qubits in wide band gap materials are favorable candidates for room temperature quantum information processing. The two-dimensional (2D) hexagonal boron nitride (hBN) is an attractive solid state platform with a…
Recently, numerous techniques have been reported for generating optically active defects in exfoliated hexagonal boron nitride (hBN), which hold transformative potential for quantum photonic devices. However, achieving on-demand generation…
The $V_N N_B$ defect in hexagonal boron nitride (h-BN), comprising a nitrogen vacancy adjacent to a nitrogen-for-boron substitution, is modelled in regard to its possible usefulness in a nanophotonics device. The modelling is done on both a…
Defect engineering enables hexagonal boron nitride (h-BN) to act as a platform for stabilizing isolated metal atoms, yet systematic identification of catalytically viable motifs remains limited. Here, density functional theory is used to…
Two-dimensional hexagonal boron nitride offers intriguing opportunities for advanced studies of light-matter interaction at the nanoscale, specifically for realizations in quantum nanophotonics. Here, we demonstrate the engineering of…