相关论文: Time-Dependent Atomistic Simulations of the CP29 L…

Time-resolved photoluminescence (PL) is commonly used to track dynamics in a broad range of materials. Thus, the search for simplification of the acquisition of PL kinetics attracts continuous attention. This paper presents a new robust and…

Two-dimensional electronic spectroscopy provides information on coupling and energy transfer between excited states on ultrafast timescales. Only recently, incoherent fluorescence detection has made it possible to combine this method with…

We investigated the exciton transfer dynamics in photosynthetic light-harvesting complex 2 (LH2) coupled to an optical microcavity. Using computational simulations based on Redfield theory, we analyzed how microcavity coupling influences…

Transport phenomena in organic, self-assembled molecular J-aggregates have long attracted a great deal of attention due to its potential role in designing novel organic photovoltaic devices. A large number of theoretical and experimental…

We present a new velocity-gauge real-time, time-dependent density functional tight-binding (VG-rtTDDFTB) implementation in the open-source DFTB+ software package (https://dftbplus.org) for probing electronic excitations in large, condensed…

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…

Unravelling the nature of energy transport in multi-chromophoric photosynthetic complexes is essential to extract valuable design blueprints for light-harvesting applications. Long-range exciton transport in such systems is facilitated by a…

Efficient transport and harvesting of excitation energy under low light conditions is an important process in nature and quantum technologies alike. Here we formulate a quantum optics perspective to excitation energy transport in…

Charge separation properties, that is the ability of a chromophore, or a chromophore/semiconductor interface, to separate charges upon light absorption, are crucial characteristics for an efficient photovoltaic device. Starting from this…

We analytically derive transfer probabilities and efficiencies for an artificial light-harvesting photosynthetic system, which consists of a ring coupled to a central acceptor. For an incident photon pair, we find near-perfect single…

We revisit critically the recent claims, inspired by quantum optics and quantum information, that there is entanglement in the biological pigment protein complexes, and that it is responsible for the high transport efficiency. While…

The exciton binding energy, the energy required to dissociate an excited electron-hole pair into free charge carriers, is one of the key factors to the optoelectronic performance of organic materials. However, it remains unclear whether…

Research into the efficiency of photosynthetic light harvesting has focused on two factors: (1) entanglement of chromophores, and (2) environmental noise. While chromophores are conjugated $\pi$-bonding molecules with strongly correlated…

We investigate the role of quantum coherence in the efficiency of excitation transfer in a ring-hub arrangement of interacting two-level systems, mimicking a light-harvesting antenna connected to a reaction center as it is found in natural…

An accurate treatment of electronic spectra in large systems with a technique such as time dependent density functional theory (TDDFT) is computationally challenging. Due to the Nyquist sampling theorem, direct real time simulations must be…

There is strong interest in designing and realizing optically-active semiconductor nanostructures of greater complexity for applications in fields ranging from biomedical engineering to quantum computing. While these increasingly complex…

The photosynthetic apparatus of plants and bacteria combine atomically precise pigment-protein complexes with dynamic membrane architectures to control energy transfer on the 10-100 nm length scales. Recently, synthetic materials have…

The influence of reaction order and trap-assisted recombination on continuous-wave photoinduced absorption measurements is clarified through analytical calculations and numerical simulations. The results reveal the characteristic influence…

Time-dependent density functional theory (TD-DFT) and correlated ab initio methods have been applied to the electronically excited states of vitamin B12 (cyanocobalamin or CNCbl). Different experimental techniques have been used to probe…

Light transport in strongly scattering porous photocatalytic materials governs the spatial distribution of absorbed photons and therefore the generation of charge carriers driving photocatalytic reactions. Yet translating measured optical…