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The use of eco-friendly materials for the environment has been addressed as a critical issue in the development of systems for renewable energy applications. In this regard, the investigation of organic photovoltaic (OPV) molecules for the…

Chemical Physics · Physics 2017-01-13 Alfredo Guillén-López , Miguel Robles , Jesús Muñiz

Photoabsorption cross sections of small sodium cluster cations (Na$_n^+$, n=3,5,7 and 9) were calculated at various temperatures with the time-dependent local-density-approximation (TDLDA) in conjunction with ab initio molecular dynamics…

Atomic and Molecular Clusters · Physics 2016-09-08 M. Moseler , H. Hakkinen , Uzi Landman

To systematically describe evaporation spectra for light and heavy compound nuclei over a large range of excitation energies, it was necessary to consider three ingredients in the statistical model. Firstly, transmission coefficients or…

Nuclear Theory · Physics 2014-11-21 R. J. Charity

Photochromic molecular structures constitute a unique platform for constructing molecular switches, sensors and memory devices. One of their most promising applications is as light-switchable electron acceptor or donor units. Here, we…

Chemical Physics · Physics 2020-07-21 Jakub K. Sowa , Emily A. Weiss , Tamar Seideman

The occurrence of complex organic molecules (COMs) in the gas phase at low temperature in the dense phases of the ISM suggests that a non-thermal desorption mechanism is at work because otherwise, COMs should condense within a short…

Astrophysics of Galaxies · Physics 2019-07-17 E. Dartois , M. Chabot , T. Id Barkach , H. Rothard , B. Augé , A. N. Agnihotri , A. Domaracka , P. Boduch

The best molecular line lists for astrophysical applications today require both high accuracy of line positions for strong lines as well as high overall completeness. The former is required to enable, for example, molecular detection in…

Photoisomerization, i.e., a change of molecular structure after absorption of a photon, is one of the most fundamental photochemical processes. It can perform desirable functionality, e.g., as the primary photochemical event in human…

Mesoscale and Nanoscale Physics · Physics 2017-01-10 Javier Galego , Francisco J. Garcia-Vidal , Johannes Feist

An optical absorption spectrum constitutes one of the most fundamental material characteristics, with relevant applications ranging from material identification to energy harvesting and optoelectronics. However, the database of both…

Materials Science · Physics 2022-09-20 Ruo Xi Yang , Matthew K. Horton , Jason Munro , Kristin A. Persson

The VUV absorption cross sections of most molecular solids present in interstellar ice mantles with the exception of H2O, NH3, and CO2 have not been reported yet. Models of ice photoprocessing depend on the VUV absorption cross section of…

Solar and Stellar Astrophysics · Physics 2014-06-02 G. A. Cruz-Diaz , G. M. Munoz Caro , Y. -J. Chen , T. -S. Yih

We discuss the transformation of observed photometry into flux for the creation of spectral energy distributions and the computation of bolometric luminosities. We do this in the context of supernova studies, particularly as observed with…

Instrumentation and Methods for Astrophysics · Physics 2016-10-12 Peter J. Brown , Alice Breeveld , Peter W. A. Roming , Michael Siegel

The occlusion of the sun by clouds is one of the primary sources of uncertainties in solar power generation, and is a factor that affects the wide-spread use of solar power as a primary energy source. Real-time forecasting of cloud movement…

Computer Vision and Pattern Recognition · Computer Science 2024-09-19 Leron Julian , Haejoon Lee , Soummya Kar , Aswin C. Sankaranarayanan

Recent synthetic studies on the organic molecules tetracene and pentacene have found certain dimers and oligomers to exhibit an intense absorption in the visible region of the spectrum which is not present in the monomer or many…

We report the optical absorption characteristics and the photocurrent spectra for large-area molecular junctions containing different molecular structures and thicknesses. Through experimental assessment of the optical absorption of…

Chemical Physics · Physics 2021-04-12 V Mukundan , J A Fereiro , R L McCreery , A J Bergren

Molecular dynamics calculations have been performed to study the ultraviolet photodissociation of D2O in an amorphous D2O ice surface at 10-90 K, in order to investigate the influence of isotope effects on the photodesorption processes. As…

Chemical Physics · Physics 2011-05-06 C. Arasa , S. Andersson , H. M. Cuppen , E. F. van Dishoeck , G. J. Kroes

Predicting UV-visible absorption spectra is essential to understanding photochemical processes and designing energy materials. Quantum chemical methods can deliver accurate calculations of UV-visible absorption spectra, but they are…

Chemical Physics · Physics 2022-08-19 Zekun Chen , Fernanda C. Bononi , Charles A. Sievers , Wang-Yeuk Kong , Davide Donadio

We investigate and evaluate the contribution of the ultraviolet radiation spectrum on the temperature and efficiency of commercial crystalline silicon-based photovoltaics (PVs) that operate outdoors. The investigation is performed by…

Vacuum-UV (VUV) photodesorption from water-rich ice mantles coating interstellar grains is known to play an important role in the gas-to-ice ratio in star- and planet-forming regions. Quantitative photodesorption yields from water ice are…

The dynamics of excitonic energy transfer in molecular complexes triggered by interaction with laser pulses offers a unique window into the underlying physical processes. The absorbed energy moves through the network of interlinked pigments…

Quantum Physics · Physics 2025-12-30 Tobias Kramer

Many advanced concepts for high-efficiency photovoltaic devices exploit the peculiar optoelectronic properties of semiconductor nanostructures such as quantum wells, wires and dots. While the optics of such devices is only modestly affected…

Mesoscale and Nanoscale Physics · Physics 2014-11-17 Urs Aeberhard
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