Excitation Transport and Charge Separation in an Organic Photovoltaic Material:  Watching Excitations Diffuse to Interfaces

2008 ◽  
Vol 112 (10) ◽  
pp. 3926-3934 ◽  
Author(s):  
Larry W. Barbour ◽  
Ryan D. Pensack ◽  
Maureen Hegadorn ◽  
Sergei Arzhantsev ◽  
John B. Asbury
Keyword(s):  
Charge Separation ◽  
Organic Photovoltaic ◽  
Photovoltaic Material

scholarly journals Two-dimensional electronic spectroscopy reveals ultrafast dynamics at a conical intersection in an organic photovoltaic material

2019 ◽  
Vol 205 ◽  
pp. 06014
Author(s):  
Ephraim Sommer ◽  
Antonietta De Sio ◽  
Elena Mena-Osteritz ◽  
Peter Bäuerle ◽  
Christoph Lienau
Keyword(s):  
Organic Solar Cells ◽  
Charge Separation ◽  
Electronic Spectroscopy ◽  
Organic Photovoltaic ◽  
Conical Intersection ◽  
Ultrafast Dynamics ◽  
Two Dimensional ◽  
Initial Charge ◽  
Donor Acceptor ◽  
Photovoltaic Material

Two-dimensional electronic spectroscopy with sub-10-fs time resolution reveals signatures of vibronic coupling and wavepacket motion through a conical intersection in the initial charge separation dynamics of an acceptor-donor-acceptor oligomer thin film for organic solar cells.

ORGANIC (1).pdf

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Machine Learning ◽  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

Aggregation of a Dibenzo[b,def]chrysene Based Organic Photovoltaic Material in Solution

2014 ◽  
Vol 118 (24) ◽  
pp. 6839-6849 ◽  
Author(s):  
Alexandr N. Simonov ◽  
Peter Kemppinen ◽  
Cristina Pozo-Gonzalo ◽  
John F. Boas ◽  
Ante Bilic ◽  
...  
Keyword(s):  
Organic Photovoltaic ◽  
Photovoltaic Material

scholarly journals Origin of Charge Separation at Organic Photovoltaic Heterojunctions: A Mesoscale Quantum Mechanical View

2017 ◽  
Vol 121 (31) ◽  
pp. 16693-16701 ◽  
Author(s):  
Mosè Casalegno ◽  
Raffaele Pastore ◽  
Julien Idé ◽  
Riccardo Po ◽  
Guido Raos
Keyword(s):  
Charge Separation ◽  
Organic Photovoltaic ◽  
Quantum Mechanical

scholarly journals Effect of the polarization effect on the charge-transfer process of triad organic photovoltaic material

2020 ◽  
Author(s):  
Jaebeom Han ◽  
Huseyin Aksu ◽  
Buddhadev Maiti ◽  
Xiang Sun ◽  
Eitan Geva ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transfer Process ◽  
Polarization Effect ◽  
Organic Photovoltaic ◽  
Charge Transfer Process ◽  
Photovoltaic Material

scholarly journals Spectroscopic investigation of excitonic and charge photogeneration processes in organic photovoltaic cells

2021 ◽  
Author(s):  
◽  
Joseph Gallaher
Keyword(s):  
Excited States ◽  
Charge Separation ◽  
Transient Absorption ◽  
Mirror Image ◽  
Triplet Exciton ◽  
Organic Photovoltaic ◽  
Charge Generation ◽  
Time Resolved ◽  
Blend Morphology ◽  
Time Resolved Photoluminescence

<p>Organic photovoltaic (OPV) cells show significant promise as a renewable energy resource capable of meeting the world’s large and growing energy needs. Increasing device efficiency is central to achieving an economically viable option for widespread applications. To this end, a better understanding of the structure and dynamics of the electronic excited states is needed. In particular, the mechanism by which excitons (electron-hole pairs) escape their Coulombic attraction and generate photocurrent is yet to be established. In this thesis ultrafast laser spectroscopy, in particular transient absorption and time-resolved photoluminescence, are used to study: exciton relaxation, morphological effects on charge separation, and the pathway leading to triplet exciton states.  In Chapter 3, a series of oligothiophenes are synthesised with well-defined conjugation lengths to act as molecular models of polymer backbone sub-units, and thereby probe exciton relaxation processes. Time-resolved photoluminescence (TRPL) and transient absorption (TA) spectroscopy measurements presented in Chapter 4 reveal emission signatures evolve from a mirror image of absorption - which lacks vibronic structure - towards a spectrally narrower and vibronically structured species on the hundreds of femtosecond to early picosecond timescale. Analysis of this spectral evolution shows that a broad distribution of torsional conformers is driven to rapidly planarize in the excited state, including in solid films. This provides evidence that both torsional relaxation and energy migration could contribute to the non-mirror image absorption-emission spectra observed in polymer thin films.  Recently, long lived TA signatures have been attributed to triplet excited states with the suggested formation pathway being similar to organic light emitting diodes, whereby non-geminate (bimolecular) charge recombination leads to the formation of both singlet and triplet states. Isolated oligothiophenes in solution provide an ideal model system to investigate the role of structural relaxation on triplet exciton formation. Through analysis of TA spectral dynamics in Chapter 5, singlet and triplet exciton populations were tracked. Restriction of the torsional relaxation increased triplet yield suggesting vibrational hot states could drive triplet formation. This model could aid in understanding triplet exciton formation in polymer-based solar cells via spin-mixing instead of non-geminate recombination.  In a series of polymer:fullerene blends, the link between the nature of polymerfullerene intermixing and charge generation pathways was investigated. It is shown in Chapter 6 that free charge generation is most efficient in a 3-phase morphology that features intimately mixed polymer:fullerene regions amongst neat polymer and fullerene phases. Distinct spectroscopic signatures made it possible to determine whether holes occupy disordered or crystalline polymer chains. TA spectral dynamics reveal the migration of holes from intermixed to pure olymer regions in 3-phase morphology blends, which contrasted with observations in 2-phase blends. The energy gradient between the intermixed and phase-pure regions may be sufficient to drive efficient separation of charge pairs initially generated in intermixed regions, with free charges subsequently percolating through these phase-pure domains.  The photophysics of a high performance polymer:polymer blend is studied in Chapter 7 in an effort to elucidate how these blends can rival their polymer:fullerene counterparts. Optical spectroscopy reveals incomplete exciton dissociation and rapid geminate recombination in the blends. This is shown to result from a largely phase-separated morphology with domains greater than the exciton diffusion length. Significant loss of charge carriers on early timescales highlights increasing polymer: polymer solar cell efficiency requires optimizing blend morphology to realise facile charge separation.  Taken together, this thesis presents a valuable spectroscopic insight into the pathway of efficient charge separation and the importance of both blend morphology and polymer structure.</p>

Multiple Charge Separation Pathways in New-Generation Non-Fullerene Acceptors: a Computational Study

2021 ◽  
Author(s):  
Alessandro Landi ◽  
Daniele Padula
Keyword(s):  
Charge Separation ◽  
Computational Study ◽  
Organic Photovoltaic ◽  
Photovoltaic Devices ◽  
Organic Photovoltaic Devices ◽  
New Generation ◽  
Multiple Charge

Non-fullerene acceptors led to outstanding improvements in the efficiency of organic photovoltaic devices, with high promises of further advancements. Several studies have been performed to rationalise their exceptional performances, with...

Does Electron Delocalization Influence Charge Separation at Donor–Acceptor Interfaces in Organic Photovoltaic Cells?

2018 ◽  
Vol 122 (38) ◽  
pp. 21792-21802 ◽  
Author(s):  
Frank-Julian Kahle ◽  
Christina Saller ◽  
Selina Olthof ◽  
Cheng Li ◽  
Jenny Lebert ◽  
...  
Keyword(s):  
Charge Separation ◽  
Photovoltaic Cells ◽  
Organic Photovoltaic ◽  
Electron Delocalization ◽  
Organic Photovoltaic Cells ◽  
Donor Acceptor

Charge Separation from an Intra-Moiety Intermediate State in the High-Performance PM6:Y6 Organic Photovoltaic Blend

2020 ◽  
Vol 142 (29) ◽  
pp. 12751-12759 ◽  
Author(s):  
Rui Wang ◽  
Chunfeng Zhang ◽  
Qian Li ◽  
Zhiguo Zhang ◽  
Xiaoyong Wang ◽  
...  
Keyword(s):  
Intermediate State ◽  
Charge Separation ◽  
High Performance ◽  
Organic Photovoltaic
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