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We present an exciton/lattice model of the electronic dynamics of primary photoexcitations in a polymeric semiconductor heterojunction which includes both polymer pi-stacking, energetic disorder, and phonon relaxation. Results from our…

Materials Science · Physics 2013-09-26 Eric R. Bittner , Carlos Silva

In conventional solar cells, photogenerated carriers lose part of their energy before they can be extracted to make electricity. The aim of hot-carrier solar cells is to extract the carriers before this energy loss, thereby turning more…

Mesoscale and Nanoscale Physics · Physics 2023-04-17 Ludovico Tesser , Robert S. Whitney , Janine Splettstoesser

Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop…

Chemical Physics · Physics 2018-11-28 Tobias Kramer , Mirta Rodriguez , Yaroslav Zelinskyy

An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells materials, and in addition to the energy gap it includes the…

Strong light-matter coupling has shown great potential for modifying the electro-optical properties of semiconducting materials in recent years. In the strong coupling regime, excitons and cavity photons form new states named…

Applied Physics · Physics 2023-11-23 Yahui Tang , Alexandra Stuart , Timothy van der Laan , Girish Lakhwani

The high efficiency of charge generation within organic photovoltaic blends apparently contrasts with the strong "classical" attraction between newly formed electron-hole pairs. Several factors have been identified as possible facilitators…

Mesoscale and Nanoscale Physics · Physics 2017-09-07 Mosè Casalegno , Raffaele Pastore , Julien Idé , Riccardo Po , Guido Raos

Understanding charge separation dynamics in organic semiconductor blends is crucial for optimizing the performance of organic photovoltaic solar cells. In this study, we explored the optoelectronic properties and charge separation dynamics…

This paper introduces a mathematical formulation of energy storage systems into a generation capacity expansion framework to evaluate the role of energy storage in the decarbonization of distributed power systems. The modeling framework…

Systems and Control · Electrical Eng. & Systems 2021-08-31 Jiachen Mao , Mehdi Jafari , Audun Botterud

We present a domain decomposition approach for the simulation of charge transport in heterojunction semiconductors. The problem is characterized by a large variation of primary variables across an interface region of a size much smaller…

Computational Physics · Physics 2014-12-30 Timothy Costa , David Foster , Malgorzata Peszynska

The mechanism of electron-hole separation in organic solar cells is currently hotly debated. Recent experimental work suggests that these charges can separate on extremely short timescales (<100 fs). This can be understood in terms of…

Materials Science · Physics 2014-06-05 Samuel L Smith , Alex W Chin

Solar cells based on organometal halide perovskites have recently become very promising among other materials because of their cost-effective character and improvements in efficiency. Such performance is primarily associated with effective…

Materials Science · Physics 2016-03-23 Zhyrair Gevorkian , Vladimir Gasparian , Yurii Lozovik

Hot carrier-based energy conversion systems could double the efficiency of conventional solar energy technology or drive photochemical reactions that would not be possible using fully thermalized, ``cool'' carriers, but current strategies…

In organic photovoltaics, charges can separate efficiently even if their Coulomb attraction is an order of magnitude greater than the available thermal energy. Delocalization has been suggested to explain this fact, because it could…

Chemical Physics · Physics 2022-08-16 Daniel Balzer , Ivan Kassal

In this era of non-fullerene acceptor (NFA) based organic solar cells, reducing voltage losses while maintaining high photocurrents is the holy grail of current research. Recent focus lies in understanding the manifold fundamental…

Exciton dissociation at heterojunctions in photovoltaic devices is not completely understood despite being fundamentally necessary to generate electrical current. One of the fundamental issues for ab initio calculations is that hybrid…

Mesoscale and Nanoscale Physics · Physics 2017-06-20 Michael J. Waters , Daniel Hashemi , John Kieffer

In organic bulk heterojunction materials, charge delocalization has been proposed to play a vital role in the generation of free carriers by reducing the Coulomb attraction via an interfacial charge transfer exciton (CTX). Pump-push-probe…

Simulations of exciton and charge hopping in amorphous organic materials involve numerous physical parameters. Each of these parameters must be computed from costly ab initio calculations before the simulation can commence, resulting in a…

Charge separation is a critical process for achieving high efficiencies in organic photovoltaic cells. The initial tightly bound excitonic electron-hole pair has to dissociate fast enough in order to avoid photocurrent generation and thus…

Mesoscale and Nanoscale Physics · Physics 2017-12-05 S. Oviedo-Casado , A. Urbina , J. Prior

The separation of photogenerated polaron pairs in organic bulk heterojunction solar cells is the intermediate but crucial step between exciton dissociation and charge transport to the electrodes. In state-of-the-art devices, above 80% of…

Materials Science · Physics 2009-07-16 C. Deibel , T. Strobel , V. Dyakonov

Surface recombination has a major impact on the open-circuit voltage ($V_\text{oc}$) of organic photovoltaics. Here, we study how this loss mechanism is influenced by imbalanced charge transport in the photoactive layer. As a model system,…