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In this paper, we report theoretical calculations of the photo-induced absorption (PA) spectrum of naphthalene and anthracene, with the aim of understanding those excited states, which are invisible in the linear optical absorption. The…
Accurately described excitonic properties of transition metal dichalcogenide heterobilayers (HBLs) are crucial to comprehend the optical response and the charge carrier dynamics of them. Excitons in multilayer systems posses inter or…
Recently the quantum nature in the energy transport in solar cell and light-harvesting complexes have attracted much attention, as being triggered by the experimental observations. We model the light-harvesting complex (i.e., PEB50 dimer)…
We study photoinduced optical responses of one-dimensional strongly correlated electron systems. The optical conductivity spectra are calculated for the ground state and a photoexcited state in the one-dimensional Hubbard model at half…
This investigation demonstrates that the pentagonal PdTe2 (penta-PdTe2) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by the bandgap of 1.75 eV and high hole mobility. Using density functional theory…
We present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Na_{n}, n=2-6), as well as closed-shell cation clusters (Na_{n}^{+},…
Numerical simulation of a solar cell can provide various information that can be useful to maximize its power conversion efficiency (PCE). In that respect we carried out a set of numerical simulation using AFORS-HET simulation program.…
Energy states below the bandgap of a semiconductor, such as trap states or charge transfer states in organic donor acceptor blends, can contribute to light absorption. Due to their low number density or ultrasmall absorption cross-section,…
Electron-beam-induced luminescence typically relies on direct excitation by high energy primary electrons. Here, we explore properties of an alternative excitation approach where cathodoluminescence (CL) is driven by substrate-generated…
In a joint theoretical and experimental work the optical properties of azobenzene-functionalized self-assembled monolayers (SAMs) are studied at different molecular packing densities. Our results, based on density-functional and many-body…
Viologen-based ditopic bis-pyridinyl-triazole bidentate ligands self-assemble in the presence of palladium ions into supramolecular polymers whose structure is imposed by the directed formation of coordination bonds. Light-irradiation of…
To enhance the activity of photocatalysts for hydrogen production and CO2 conversion, noble metal cocatalysts as electron traps and/or acceptors such as platinum or gold are usually utilized. This study hypothesizes that mixing elements…
A fundamental, Quantum Mechanical description of photoactivation of a generic photosensitizer and the ensuing transfer of energy to endogenous oxygen as part of the Type II pathway to photodamage during photodynamic therapy (PDT) is…
Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer…
Spatial interferometry, based on the measurement of total absorbed power, can be used to determine the state of coherence of the electromagnetic field to which any energy-absorbing structure is sensitive. The measured coherence tensor can…
Excitation of a model photosynthetic molecular aggregate by incoherent sunlight is systematically examined. For a closed system, the excited state coherence induced by the sunlight oscillates with an average amplitude that is inversely…
Upon excitation with an intense ultrafast laser pulse, a symmetry-broken ground state can undergo a non-equilibrium phase transition through pathways dissimilar from those in thermal equilibrium. Determining the mechanism underlying these…
Developing efficient and universal polymer crosslinking strategies is pivotal for advanced material design, especially for challenging matrixes like polyethylene, polypropylene, and polystyrene. Traditional crosslinkers such as…
Lead sulfide (PbS) quantum dot (QD) photovoltaics have reached impressive efficiencies of 12%, making them particularly promising for future applications. Like many other types of emerging photovoltaic devices, their environmental…
Artificially reproducing the biological light reactions responsible for the remarkably efficient photon-to-charge conversion in photosynthetic complexes represents a new direction for the future development of photovoltaic devices. Here, we…