相关论文: Time-Dependent Atomistic Simulations of the CP29 L…
In green plants, chlorophyll-a and chlorophyll-b are the predominant pigments bound to light-harvesting proteins. While the individual characteristics of these chlorophylls are well understood, the advantages of their coexistence remain…
Current-based deep level transient spectroscopy was used to study trap states in poly(3- hexylthiophene-2,5-diyl) (P3HT), [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) and P3HT:PCBM blend. The obtained spectra showed traps of 87 meV…
Efficient devices for light harvesting and photon sensing are fundamental building blocks of basic energy science and many essential technologies. Recent efforts have turned to biomimicry to design the next generation of light-capturing…
In this work we study the first step in photosynthesis for the limiting case of a single photon interacting with photosystem II (PSII). We model our system using quantum trajectory theory, which allows us to consider not only the average…
Two-pulse correlation experiments performed using pulses of different intensities on Pd(111) with different CO coverages showed that the CO photodesorption probability depends on whether the strong or the weak pulse arrives first to the…
A minimal, one-parameter model of the excitonic Hamiltonian for the light harvesting complex of purple bacteria (LH2) based on ab initio calculation of the excitonic energies is proposed. The set of input parameters contains positions of…
Detection of scintillation light can play several important roles in LArTPCs. Increased collection efficiency could result in the improvement of time, energy, and position resolution. The SBND collaboration is developing detailed MC…
We present a rigorous theoretical description of excitonic dynamics in molecular light-harvesting aggregates photoexcited by weak-intensity radiation of arbitrary properties. While the interaction with light is included up to the second…
Light-matter interaction dynamics is governed by the strength of local coupling constants, tailored by surrounding electromagnetic structures. Characteristic decay times in dipole-allowed fluorescent transitions are much faster than…
The physical basis for observed long-lived electronic coherence in photosynthetic light-harvesting systems is identified using an analytically soluble model. Three physical features are found to be responsible for their long coherence…
In recent years, metal halide perovskites (MHPs) for optoelectronic applications have attracted the attention of the scientific community due to their outstanding performance. The fundamental understanding of their physicochemical features…
Since perovskite solar cells have attracted a lot of attentions over the past years, the enhancement of their optical absorption and current density are among the basic coming challenges. For this reason, first, we have studied structural…
Photosystem I is a protein-pigment complex that performs photosynthesis in plants, green algae, and cyanobacteria. It contains an aggregate of chlorophylls that absorbs light and delivers the resulting electronic excitation to the special…
The systematic trends in structural and electronic properties of perylene diimide (PDI) derived dye molecules have been investigated by DFT calculations based on projector augmented wave (PAW) method including gradient corrected…
Photosynthetic antenna complexes achieve high quantum efficiency through exciton transport in coupled pigment networks. Conventional Frenkel-exciton models treat each chromophore as a structureless site and neglect internal electronic…
Transient absorption (TA) spectroscopy has proved fundamental to our understanding of energy and charge transfer in biological systems, allowing measurements of photoactive proteins on sub-picosecond timescales. Recently, ultrafast TA…
Enhanced sampling techniques are essential for exploring biomolecular conformational dynamics that occur on timescales inaccessible to conventional molecular dynamics (MD) simulations. This study introduces a framework that combines…
We formulate a comprehensive theoretical description of excitation harvesting in molecular aggregates photoexcited by weak incoherent radiation. An efficient numerical scheme that respects the continuity equation for excitation fluxes is…
Spectroscopies that probe electronic excitations from core levels into unoccupied orbitals, such as X-ray absorption spectroscopy and electron energy loss spectroscopy, are widely used to gain insight into the electronic and chemical…
The transient-absorption spectrum of a $V$-type three-level system is investigated, when this is periodically excited by a train of equally spaced, $\delta$-like pump pulses as, e.g., from an optical-frequency-comb laser. We show that, even…