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Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent efforts show that the reduction from three- to two-dimensions…
A prototypical organic photovoltaic material is a heterojunction composed of the blend of regioregular poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C$_{61}$-butyric acid methyl ester (PCBM). Microscopic understanding of the energy…
Solution-processed amorphous silicon is a promising material for semiconductor devices. Unfortunately, its manufacturing leaves a high density of defects in the layer, which can be reduced by a treatment with hydrogen radicals. Here, we…
We have demonstrated OPV accelerated degradation studies using concentrated sunlight, where the atmosphere, temperature and illumination intensity were independently controlled. Testing various schemes for controlling the sample temperature…
Urban haze is a multifaceted threat. Foremost a major health hazard, it also affects the passage of light through the lower atmosphere. In this paper, we present a study addressing the impact of haze on the performance pf photovoltaic…
Organic heterojunction solar cells are analyzed within a minimal model that includes the essential physical features of such systems. The dynamical properties of this model, calculated using a master equation approach, account for the…
Hybrid perovskites have received tremendous attention due to their exceptional photovoltaic and optoelectronic properties. Among the two widely used perovskite solar cell device architectures of n-ip and p-i-n, the latter is interesting in…
Context. The long-term evolution of an atmosphere and the remote detectability of its chemical constituents are susceptible to how the atmospheric gas responds to stellar irradiation. The response remains poorly characterized for water and…
Organic-inorganic perovskite solar cells have attracted tremendous attention because of their remarkably high power conversion efficiencies (PCEs). To further improve the device performance, however, it is imperative to obtain fundamental…
Energy level diagrams in organic electronic devices play a crucial role in device performance and interpretation of device physics. In the case of organic solar cells, it has become routine to estimate the photovoltaic gap of the…
Hematite ($\alpha$-Fe$_2$O$_3$) is a promising candidate as photoanode materials for solar-to-fuel conversion due to its favorable band gap for visible light absorption, its stability in an aqueous environment and its relatively low cost in…
The instability of organometal halide perovskites when in contact with water is a serious challenge to their feasibility as solar cell materials. Although studies of moisture exposure have been conducted, an atomistic understanding of the…
In this article, we theoretically demonstrate multilevel impurity photovoltaic effect in an efficient silicon dual-homojunction solar cell that ensures an extended absorption of longer wavelength light. Along with suitable contact work…
We investigate the effect of oxygen vacancies and hydrogen dopants at the surface and inside slabs of LaAlO3, SrTiO3, and LaAlO3/SrTiO3 heterostructures on the electronic properties by means of electronic structure calculations as based on…
Fundamental electronic processes such as charge-carrier transport and recombination play a critical role in determining the efficiency of hybrid perovskite solar cells. The presence of mobile ions complicates the development of a clear…
We report an ultra long range energy transfer in a layered donor:spacer:acceptor structures, which consist of the typical organic photovoltaic material system of P3HT as the donor and PCBM as the acceptor. By varying the thicknesses of…
Wide proliferation of low temperature hydrogen fuel cell systems, a key part of the hydrogen economy, is hindered by degradation of the platinum cathode catalyst. Here, we provide a device level assessment of the molecular scale catalyst…
The incoherence of sunlight has long been suspected to have an impact on solar cell energy conversion efficiency, although the extent of this is unclear. Existing computational methods used to optimize solar cell efficiency under incoherent…
We present a pipeline to study the device performance of organic solar cells in silico. We introduce a mathematical model that includes the dynamics of excitons as well as their dissociation at bulk heterojunctions within the nanomorphology…
The use of a thin mixed layer consisting of an inert diluent material and a light emitting material between the hole-transport layer and electron-transport layer of organic light-emitting diodes leads to an increase in the external quantum…