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Alkaline water electrolysis is considered a commercially viable option for large-scale hydrogen production. However, this process still faces challenges due to the high voltage (>1.65 V at 10 mA cm$^{-2}$) and its limited stability at…
Single layer Pb on top of (111) surfaces of group IV semiconductors hosts charge density wave and superconductivity depending on the coverage and on the substrate. These systems are normally considered to be experimental realizations of…
The electrified solid-liquid interface plays an essential role in many renewable energy-related applications, including hydrogen production and utilization. Limitations in computational modelling of the electrified solid-liquid interface…
We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…
The ideal band gap for a photovoltaic active layer for the solar spectrum is around 1.3 eV. However oxides with such values are rare. One of the most studied oxides to date as a photovoltaic active layer is the cuprous oxide Cu2O. Its band…
We demonstrate the coupling of PbS quantum dot emission to photonic crystal cavities at room temperature. The cavities are defined in 33% Al, AlGaAs membranes on top of oxidized AlAs. Quantum dots were dissolved in Poly-methyl-methacrylate…
We investigate the Predictable Quantum Efficient Detector (PQED) in the visible and near-infrared wavelength range. The PQED consists of two n-type induced junction photodiodes with $Al_2O_3$ entrance window. Measurements are performed at…
Optoelectronic micro- and nanostructures have a vast parameter space to explore for modification and optimisation of their functional performance. This paper reports on a data-led approach using high-throughput single nanostructure…
Hybrid structures formed between organic molecules and inorganic quantum dots can accomplish unique photophysical transformations by taking advantage of their disparate properties. The electronic coupling between these materials is…
Two-dimensional materials and their heterostructures have emerged as a new class of materials for not only fundamental physics but also for electronic and optoelectronic applications. Black phosphorus (BP) is a relatively new addition to…
Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…
The efficient single photon emission capabilities of quantum dot molecules position them as promising platforms for quantum information processing. Furthermore, quantum dot molecules feature a "decoherence-free" subspace that enables spin…
Black phosphorus (BP) nanostructures enable a new strategy to tune the electronic and optical properties of this atomically thin material. In this paper we show, via density functional theory calculations, the possibility to modify the…
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the…
We use an optical fiber taper waveguide to probe PbS quantum dots (QDs) dried on Si photonic crystal cavities near 1.55 $\mu$m. We demonstrate that a low density ($\lesssim 100 \mu$m$^{-2}$) of QDs does not significantly degrade cavity…
Colloidal two-dimensional lead chalcogenide nanocrystals represent an intriguing new class of materials that push the boundaries of quantum confinement by combining a crystal thickness down to the monolayer with confinement in the lateral…
Polar heterogeneous photocatalysts were shown to lead to enhanced charge-carrier separation that results in superior activity for example for photocatalytic water splitting. Promising photocatalyst materials such as oxynitrides can be…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
Recent technical and commercial successes of existing thin film solar cell technologies motivates exploration of next-generation photovoltaic (PV) absorber materials. Of particular scientific interest are compounds like CuSbSe$_2$, which do…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…