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Development of alternative thin film photovoltaic technologies is an important research topic due to the potential for low-cost, large-scale fabrication of high-efficiency solar cells. Despite the large number of promising alternative…
Sulfide chalcopyrite Cu(In,Ga)S2 (CIGS) is a wide bandgap semiconductor suitable for the top cell of a tandem solar device. Here we demonstrate significant improvements in absorber quality by alloying with Ag to form (Ag,Cu)(In,Ga)S2…
In this work, the structural, electrical, and optical properties of bilayer SiX (X= N, P, As, and Sb) are studied using density functional theory (DFT). Five different stacking orders are considered for every compound and their structural…
Broadband absorption in the visible spectrum is essential in optoelectronic applications that involve power conversion such as photovoltaics and photocatalysis. Most ultrathin broadband absorbers use parasitic plasmonic structures that…
Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s-p orbital hybridization, distinctively different from other 2D materials such as sulfides/selenides and semi-metallic graphene.…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
Thermoelectric materials operating at cryogenic temperatures are in high demand for efficient cooling and power generation in applications ranging from superconductors to quantum computing. The narrow band-gap semiconductor FeSb2, known for…
Selenium is an elemental semiconductor with a wide bandgap suitable for a range of optoelectronic and solar energy conversion technologies. However, developing such applications requires an in-depth understanding of the fundamental material…
Interface recombination at the absorber buffer interface impedes the efficiency of a solar cell with an otherwise excellent absorber. The internal voltage or the quasi-Fermi level splitting (qFLs) measures the quality of the absorber.…
Ultrathin planar absorbing layers, including semiconductor and metal films, and 2D materials, are promising building blocks for solar energy harvesting devices but poor light absorption has been a critical issue. Although interference in…
Self-assembled semiconductor quantum dot is a new type of artificially designed and grown function material which exhibits quantum size effect, quantum interference effect, surface effect, quantum tunneling-Coulumb-blockade effect and…
Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We disentangle the concomitant spectroscopic expression of all…
The discovery of new families of exfoliatable 2D crystals that have diverse sets of electronic, optical, and spin-orbit coupling properties, enables the realization of unique physical phenomena in these few-atom thick building blocks and in…
Exploring the conduction mechanism in the chalcogenide perovskite BaZrS$_3$ is of significant interest due to its potential suitability as a top absorber layer in silicon-based tandem solar cells and other optoelectronic applications.…
Semiconductor nanowires (NWs) have shown evidence of robust hot carrier effects due to their small dimensions. The relaxation dynamics of hot carriers in these nanostructures, generated by photo-absorption, are of great importance in…
The realization of a semiconductor near-unity absorber in the infrared will provide new capabilities to transform applications in sensing, health, imaging, and quantum information science, especially where portability is required.…
In this work from first-principles simulations we investigate bilayer van der Waals heterostructures (vdWh) of emerging 2-dimensional (2D) optical materials SnS 2 and SnSe 2 with monolayer InSe. With density functional theory (DFT)…
The spatial collection efficiency portrays the driving forces and loss mechanisms in photovoltaic and photoelectrochemical devices. It is defined as the fraction of photogenerated charge carriers created at a specific point within the…
Efficient and controlled charge transport in networks of semiconducting single-walled carbon nanotubes is the basis for their application in electronic devices, especially in field-effect transistors and thermoelectrics. The recent advances…
Semiconductor core$-$shell nanowires based on the GaAs substrate are building blocks of many photonic, photovoltaic and electronic devices, thanks to the associated direct band-gap and the highly tunable optoelectronic properties. The…