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Perovskite-silicon tandem solar cells are currently one of the most investigated concepts to overcome the theoretical limit for the power conversion efficiency of silicon solar cells. For monolithic tandem solar cells the available light…
We present a concept for an ultra-thin solar fuel device with a nanostructured back contact. Using rigorous simulations we show that the nanostructuring significantly increases the absorption in the semiconductor, CuBi$_2$O$_4$ in this…
One of the main goals of DNA nanotechnology is to provide a viable solution to the limitations of top-down approaches in microfabrication schemes. Although a completely practical bottom-up approach is yet to be realized, there has been…
Biomolecules exhibit dynamic conformations critical to their functions, yet observing these processes at the single-molecule level under native conditions remains a formidable challenge. While surface immobilization has been widely used to…
On the basis of density functional calculations and using Bader's atom in molecule theory, this article presents quantitative microscopic analyses on the bonding properties of amorphous silicon (a-Si) which could reflect in the observable…
The use of optics in microelectronic circuits to overcome the limitation of metallic interconnects is more and more considered as a viable solution. Among future silicon compatible materials, carbon nanotubes are promising candidates thanks…
We present a first-principles study of the electronic properties of silicon clathrate nanowires intercalated with various types of alkali or alkaline-earth atoms. We find that the band structure of the nanowires can be tuned by varying the…
Optimizing the performance of organic solar cells (OSCs) hinges on a comprehensive understanding of their nanostructures, yet traditional characterization methods often fall short, delivering incomplete structural snapshots. We introduce…
Silicon carbide (SiC) has attracted significant attention as a promising quantum material due to its ability to host long-lived, optically addressable color centers with solid-state photonic interfaces. The CMOS compatibility of 4H-SiCOI…
Computational searching and screening of new functional materials exploiting earth abundant elements can accelerate developments of their energy applications. Based on a state-of-the-art materials search algorithm and ab initio…
Following the recent success of monolithically integrated Perovskite/Si tandem solar cells, great interest has been raised in searching for alternative wide bandgap top-cell materials with prospects of a fully earth-abundant, stable and…
We present a critical theoretical study of electronic properties of silicon nanoclusters, in particular the roles played by symmetry, relaxation, and hydrogen passivation on the the stability, the gap states and the energy gap of the system…
Subwavelength semiconductor nanowires have recently attracted interest for photonic applications because they possess various unique optical properties and offer great potential for miniaturizing devices. However, realizing tight light…
Electrical transients enabled by optical excitation and electric detection provide a distinctive opportunity to study the charge transport, recombination and even the hysteresis of a solar cell in a much wider time window ranging from…
Optically controllable solid-state spin qubits are one of the basic building blocks for applied quantum technology. Efficient extraction of emitted photons and a robust spin-photon interface are crucial for the realization of quantum…
While silicon solar cells dominate global photovoltaic energy production, their continued improvement is hindered by the single junction limit. One potential solution is to use molecular singlet exciton fission to generate two electrons…
With high integration density and excellent optical properties, silicon photonics is becoming a promising platform for complete integration and large-scale optical quantum information processing. Scalable quantum information applications…
Aluminum Indium Nitride (AlInN) alloys offer great potential for photovoltaic devices thanks to their wide direct bandgap energy that covers the solar spectrum from 0.7 eV (InN) to 6.2 eV (AlN), and their superior resistance to high…
Using an approximate time-dependent density functional theory method, we calculate the absorption and luminescence spectra for hydrogen passivated silicon nanoscale structures with large aspect ratio. The effect of electron confinement in…
We theoretically study the electronic structure and spin properties of one-dimensional nanostructures of the prototypical bulk topological insulator Bi$_2$Se$_3$. Realistic models of experimentally observed Bi$_2$Se$_3$ nanowires and…