Related papers: Chemical design rules for non-fullerene acceptors …
Charge carrier recombination is studied in operational organic solar cells made from the polymer:fullerene system PCDTBT:PC71BM (poly[N-9"-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] :…
By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investigated. We report the study of Ge and Sn substitution in the…
We present the angular distribution of electrons knocked out from an atom in a fast charge particle collision at small momentum transfer. It is determined not only by dipole but also by quadrupole transitions, the contribution of which can…
Our first-principles calculations demonstrate that ${\rm C}_{60-n}{\rm B}_{n}$ and ${\rm C}_{60-m}{\rm N}_{m}$ molecules can be engineered as the acceptors and donors, respectively, which are needed for molecular electronics, by properly…
Nano-scaled metallic or dielectric structures may provide various ways to trap light into thin-film solar cells for improving the conversion efficiency. In most schemes, the textured active layers are involved into light trapping structures…
Molecular systems containing donor-bridge-acceptor sites or molecular antennas constitute promising candidates for organic photovoltaic device implementation. Photo-induced electron transfer in multi-chromophore molecular systems is defined…
Molecular dipole moments of analytic density-functional theory are investigated. The effect of element-dependent exchange potentials on these moments are examined by comparison with conventional quantum-chemical methods and experiment for…
Hot-carrier solar cells use the photon excess energy, that is, the energy exceeding the absorber bandgap, to do additional work. These devices have the potential to beat the upper limit for the photovoltaic power conversion efficiency set…
Low cost, highly efficient, and stable solar cells demand low temperature processing, less stringent criteria on materials, and possibility of dynamic recovery from long term degradation: a combination of features unachievable from the…
Nuclear electron capture rate from continuum in an astrophysical plasma environment (like solar core) is calculated using a modified Debye-Huckel screening potential and the related non-Gaussian q-distribution of electron momenta. For q=1…
The theoretical analysis of photovoltaic conversion efficiency of highly effective silicon solar cells (SC) is performed for n-type and p-type bases. The case is considered when the Shockley-Read-Hall recombination in the silicon bulk is…
III-V materials show a wide range of gaps making them ideal for the design of high efficiency solar cells. This chapter reviews relevant growth methods and material properties of these materials and discusses methods of combining…
The two-dimensional semiconductor phosphorene has attracted extensive research interests for potential applications in optoelectronics, spintronics, catalysis, sensors, and energy conversion. To harness phosphorene's potential requires a…
Accurate nuclear matrix elements (NMEs) for neutrinoless double beta decays of candidate nuclei are important for the design and interpretation of future experiments. Significant progress has been made in the modeling of these NMEs from…
The electronic and optical properties of CdGa2Te4 and ZnGa2Te4 were studied using first-principles DFT calculations. Band gaps were calculated using the GGA-PBESol functional. Both materials show promise for photovoltaic applications…
A galvanic displacement reaction-based, room-temperature "dip-and-dry" technique is demonstrated for fabricating selectively solar-absorbing plasmonic nanostructure-coated foils (PNFs). The technique, which allows for facile tuning of the…
Metastable defects can decisively influence the diode factor and thus the efficiency of a solar cell. The diode factor is also influenced by the doping level and the recombination mechanisms in the solar cell. Here we quantify how the…
Absorbed sunlight in a solar cell produces electrons and holes. But, at the open circuit condition, the carriers have no place to go. They build up in density and, ideally, they emit external fluorescence that exactly balances the incoming…
The adsorption of two different organic molecules cyanidin glucoside (C$_{21}$O$_{11}$H$_{20}$) and TA-St-CA on anatase (101) and (001) nanowires have been investigated using the standard and the range separated hybrid density functional…
N-heterotriangulenes (N-HTAs) represent a class of functional molecules with high potential for optoelectronic materials, for example as electron donating compounds in donor/acceptor (D/A) systems. The capability of two different N-HTAs,…