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The two-dimensional semiconductor MoS2 in its mono- and few-layer form is expected to have a significant exciton binding energy of several 100 meV, leading to the consensus that excitons are the primary photoexcited species. Nevertheless,…
Accurate photodissociation cross sections have been computed for transitions from the X $^1\Sigma^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment…
The exciton dissociation and charge separation occurring on subpicosecond time scales following the photoexcitation are studied in a model donor/acceptor heterojunction using a fully quantum approach. Higher-than-LUMO acceptor orbitals…
Photoelectrochemical impedance spectroscopy (PEIS) is a useful tool for the characterization of photoelectrodes for solar water splitting. However, the analysis of PEIS spectra often involves a priori assumptions that might bias the…
Actively tunable photonic devices are vital for next-generation optoelectronics requiring rapid switching and high bandwidth. Although organic optoelectronic devices have found wide application, their use as optical modulators has been…
In recent years, action-detected ultrafast spectroscopies have gained popularity. These approaches offer some advantages over their coherently-detected counterparts, enabling spatially-resolved and operando measurements with high…
We develop a detailed theoretical model of photo-induced proton-coupled electron transfer (PPCET) processes, which are at the basis of solar energy harvesting in biological systems and photovoltaic materials. Our model enables to analyze…
We extend Mulliken's theory of ground state charge transfer in a donor-acceptor complex to excited state charge transfer between pairs of identical $\pi$-conjugated oligomers, one of which is in the optically excited state and the other in…
The photosynthetic reaction center of plants and bacteria is an extremely efficient energy to charge conversion device. Solar photons create excitons in the pigment molecules. These excitons are then transferred to the reaction center where…
Protein electrostatics tune excitation energies in the Photosystem II reaction center (PSII-RC), yet a fully quantum-mechanical many-body description of how the surrounding protein environment renormalizes excitons has remained…
All-organic-based photovoltaic solar cells have attracted considerable attention because of their low-cost processing and short energy payback time. In such systems the primary dissociation of an optical excitation into a pair of…
We present a time-resolved angle-resolved photoelectron spectroscopy study of IrTe$_2$, which undergoes two first-order structural and charge-ordered phase transitions on cooling below 270 K and below 180 K. The possibility of inducing a…
Plexciton is the formation of new hybridized energy states originated from the coupling between plasmon and exciton. To reveal the optical properties of both exciton and plexciton, we develop a classic oscillator model to describe the…
A new mechanism for the primary photoinduced charge separation in photosynthesis is proposed. It involves as real intermediate between the excited special pair state P* and the primary charge separated state P+HL- a trip-trip-singlet PTBLT,…
Photosystem II (PSII) can achieve near-unity quantum efficiency of light harvesting in ideal conditions and can dissipate excess light energy as heat to prevent formation of reactive oxygen species under light stress. Understanding how this…
In high-performance solar cells based on polymeric semiconductors, the mechanism of photocarrier generation on $<100$-fs timescales is yet to be unravelled. In particular the dynamics of early-time electronic coupling between excitons on…
We report two-dimensional electronic spectroscopy (2DES) experiments on the bacterial reaction center (BRC) from purple bacteria, revealing hidden excitonic and vibronic structure. Through analysis of the coherent dynamics of the BRC we…
The elementary optical excitations in two dimensional semiconductors hosting itinerant electrons are attractive and repulsive polarons -- excitons that are dynamically screened by electrons. Exciton-polarons have hitherto been studied in…
Motivated by photoinduced phase transition in manganese oxides, charge and spin dynamics induced by photoirradiation are examined. We calculate the transient optical absorption spectra of the extended double-exchange model by the density…
Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order…