相关论文: PLQ-Sim: A Computational Tool for Simulating Photo…
The Transfer Matrix Method (TMM) has become a prominent tool for the optical simulation of thin$-$film solar cells, particularly among researchers specializing in organic semiconductors and perovskite materials. As the commercial viability…
We describe a simple and consistent quantum mathematical model that simulates the possible role of quantum interference and sink effects in the nonphotochemical quenching (NPQ) in light-harvesting complexes (LHCs). Our model consists of a…
We investigate the electronic dynamics of a model organic photovoltaic (OPV) system consisting of polyphenylene vinylene (PPV) oligomers and a [6,6]-phenyl C61-butyric acid methylester (PCBM) blend using a mixed molecular mechanics/quantum…
Near-unity energy transfer efficiency has been widely observed in natural photosynthetic complexes. This phenomenon has attracted broad interest from different fields, such as physics, biology, chemistry and material science, as it may…
Open quantum system approaches are widely used in the description of physical, chemical and biological systems. A famous example is electronic excitation transfer in the initial stage of photosynthesis, where harvested energy is transferred…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
A simple first-principles mathematical model is developed to predict the performance of a micro photosynthetic power cell ($\mu$PSC), an electrochemical device which generates electricity by harnessing electrons from photosynthesis in the…
Photosynthesis is an important and complex physical process in nature, whose comprehensive understanding would have many relevant industrial applications, for instance in the field of energy production. In this paper we propose a quantum…
This article reviews the application of the non-equilibrium Green's function formalism to the simulation of novel photovoltaic devices utilizing quantum confinement effects in low dimensional absorber structures. It covers well-known…
Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular…
We describe a method for simulating exciton dynamics in protein-pigment complexes, including effects from charge transfer as well as fluorescence. The method combines the hierarchical equations of motion, which are used to describe quantum…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
Chalcogenide phase change materials (PCMs) have been extensively applied in data storage, and they are now being proposed for high resolution displays, holographic displays, reprogrammable photonics, and all-optical neural networks. These…
In this study, we present a generalized quantum photocell model inspired by biological light-harvesting complexes, designed to probe the influence of donor multiplicity on photovoltaic performance. Building upon earlier two and three-donor…
Many living organisms can exploit quantum mechanical effects to gain distinct biological advantages. In plants, photosynthesis uses quantum coherence to achieve near 100% efficiency in energy transfer. With advances in experimental…
For efficient photovoltaic conversion, it is important to understand how quantum entropy-related quantities evolve during the photovoltaic process. In this study, using a double quantum dot (DQD) photocell model, we explored the dynamic…
We demonstrate numerically that superradiance could play a significant role in nonphotochemical quenching (NPQ) in light-harvesting complexes. Our model consists of a network of five interconnected sites (discrete excitonic states) that are…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
This paper explores the application of data-driven system identification techniques in the frequency domain to obtain simplified, control-oriented models of photosynthesis regulation under oscillating light conditions. In-silico datasets…
Modelling of photonic devices traditionally involves solving the equations of light-matter interaction and light propagation, and it is restrained by their applicability. Here we demonstrate an alternative modelling methodology by creating…