@article{ArminChenJinetal.2018,
  author    = {Armin, Ardalan and Chen, Zhiming and Jin, Yaocheng and Zhang, Kai and Huang, Fei and Shoaee, Safa},
  title     = {A Shockley-Type polymer},
  series = {Advanced energy materials},
  volume    = {8},
  journal   = {Advanced energy materials},
  number    = {7},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1614-6832},
  doi       = {10.1002/aenm.201701450},
  pages     = {9},
  year      = {2018},
  abstract  = {Charge extraction rate in solar cells made of blends of electron donating/accepting organic semiconductors is typically slow due to their low charge carrier mobility. This sets a limit on the active layer thickness and has hindered the industrialization of organic solar cells (OSCs). Herein, charge transport and recombination properties of an efficient polymer (NT812):fullerene blend are investigated. This system delivers power conversion efficiency of >9\% even when the junction thickness is as large as 800 nm. Experimental results indicate that this material system exhibits exceptionally low bimolecular recombination constant, 800 times smaller than the diffusion-controlled electron and hole encounter rate. Comparing theoretical results based on a recently introduced modified Shockley model for fill factor, and experiments, clarifies that charge collection is nearly ideal in these solar cells even when the thickness is several hundreds of nanometer. This is the first realization of high-efficiency Shockley-type organic solar cells with junction thicknesses suitable for scaling up.},
  language  = {en}
}
@article{YazmaciyanStolterfohtBurnetal.2018,
  author    = {Yazmaciyan, Aren and Stolterfoht, Martin and Burn, Paul L. and Lin, Qianqian and Meredith, Paul and Armin, Ardalan},
  title     = {Recombination losses above and below the transport percolation threshold in bulk heterojunction organic solar cells},
  series = {Advanced energy materials},
  volume    = {8},
  journal   = {Advanced energy materials},
  number    = {18},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1614-6832},
  doi       = {10.1002/aenm.201703339},
  pages     = {8},
  year      = {2018},
  abstract  = {Achieving the highest power conversion efficiencies in bulk heterojunction organic solar cells requires a morphology that delivers electron and hole percolation pathways for optimized transport, plus sufficient donor:acceptor contact area for near unity charge transfer state formation. This is a significant structural challenge, particularly in semiconducting polymer:fullerene systems. This balancing act in the model high efficiency PTB7:PC70BM blend is studied by tuning the donor:acceptor ratio, with a view to understanding the recombination loss mechanisms above and below the fullerene transport percolation threshold. The internal quantum efficiency is found to be strongly correlated to the slower carrier mobility in agreement with other recent studies. Furthermore, second-order recombination losses dominate the shape of the current density-voltage curve in efficient blend combinations, where the fullerene phase is percolated. However, below the charge transport percolation threshold, there is an electric-field dependence of first-order losses, which includes electric-field-dependent photogeneration. In the intermediate regime, the fill factor appears to be limited by both first- and second-order losses. These findings provide additional basic understanding of the interplay between the bulk heterojunction morphology and the order of recombination in organic solar cells. They also shed light on the limitations of widely used transport models below the percolation threshold.},
  language  = {en}
}
@article{AlqahtaniBabicsGorenflotetal.2018,
  author    = {Alqahtani, Obaid and Babics, Maxime and Gorenflot, Julien and Savikhin, Victoria and Ferron, Thomas and Balawi, Ahmed H. and Paulke, Andreas and Kan, Zhipeng and Pope, Michael and Clulow, Andrew J. and Wolf, Jannic and Burn, Paul L. and Gentle, Ian R. and Neher, Dieter and Toney, Michael F. and Laquai, Frederic and Beaujuge, Pierre M. and Collins, Brian A.},
  title     = {Mixed Domains Enhance Charge Generation and Extraction in Bulk-Heterojunction Solar Cells with Small-Molecule Donors},
  series = {Advanced energy materials},
  volume    = {8},
  journal   = {Advanced energy materials},
  number    = {19},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1614-6832},
  doi       = {10.1002/aenm.201702941},
  pages     = {16},
  year      = {2018},
  abstract  = {The interplay between nanomorphology and efficiency of polymer-fullerene bulk-heterojunction (BHJ) solar cells has been the subject of intense research, but the generality of these concepts for small-molecule (SM) BHJs remains unclear. Here, the relation between performance; charge generation, recombination, and extraction dynamics; and nanomorphology achievable with two SM donors benzo[1,2-b:4,5-b]dithiophene-pyrido[3,4-b]-pyrazine BDT(PPTh2)(2), namely SM1 and SM2, differing by their side-chains, are examined as a function of solution additive composition. The results show that the additive 1,8-diiodooctane acts as a plasticizer in the blends, increases domain size, and promotes ordering/crystallinity. Surprisingly, the system with high domain purity (SM1) exhibits both poor exciton harvesting and severe charge trapping, alleviated only slightly with increased crystallinity. In contrast, the system consisting of mixed domains and lower crystallinity (SM2) shows both excellent exciton harvesting and low charge recombination losses. Importantly, the onset of large, pure crystallites in the latter (SM2) system reduces efficiency, pointing to possible differences in the ideal morphologies for SM-based BHJ solar cells compared with polymer-fullerene devices. In polymer-based systems, tie chains between pure polymer crystals establish a continuous charge transport network, whereas SM-based active layers may in some cases require mixed domains that enable both aggregation and charge percolation to the electrodes.},
  language  = {en}
}
@article{LeCorreStolterfohtPerdigonToroetal.2019,
  author    = {Le Corre, Vincent M. and Stolterfoht, Martin and Perdigon Toro, Lorena and Feuerstein, Markus and Wolff, Christian Michael and Gil-Escrig, Lidon and Bolink, Henk J. and Neher, Dieter and Koster, L. Jan Anton},
  title     = {Charge Transport Layers Limiting the Efficiency of Perovskite Solar Cells: How To Optimize Conductivity, Doping, and Thickness},
  series = {ACS Applied Energy Materials},
  volume    = {2},
  journal   = {ACS Applied Energy Materials},
  number    = {9},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2574-0962},
  doi       = {10.1021/acsaem.9b00856},
  pages     = {6280 -- 6287},
  year      = {2019},
  abstract  = {Perovskite solar cells (PSCs) are one of the main research topics of the photovoltaic community; with efficiencies now reaching up to 24\%, PSCs are on the way to catching up with classical inorganic solar cells. However, PSCs have not yet reached their full potential. In fact, their efficiency is still limited by nonradiative recombination, mainly via trap-states and by losses due to the poor transport properties of the commonly used transport layers (TLs). Indeed, state-of-the-art TLs (especially if organic) suffer from rather low mobilities, typically within 10(-5) and 10(-2) cm(-2) V-1 s(-1), when compared to the high mobilities, 1-10 cm(-2) V-1 s(-1), measured for perovskites. This work presents a comprehensive analysis of the effect of the mobility, thickness, and doping density of the transport layers based on combined experimental and modeling results of two sets of devices made of a solution-processed high-performing triple-cation (PCE approximate to 20\%). The results are also cross-checked on vacuum-processed MAPbI(3) devices. From this analysis, general guidelines on how to optimize a TL are introduced and especially a new and simple formula to easily calculate the amount of doping necessary to counterbalance the low mobility of the TLs.},
  language  = {en}
}
@article{KroenerKruegerThesen2011,
  author    = {Kr{\"o}ner, Dominik and Kr{\"u}ger, Hartmut and Thesen, Manuel W.},
  title     = {Electronic structure calculations for Hole-Transporting Triphenylamine Derivatives in Polymer Light-Emitting Diodes},
  series = {Macromolecular theory and simulations},
  volume    = {20},
  journal   = {Macromolecular theory and simulations},
  number    = {9},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {1022-1344},
  doi       = {10.1002/mats.201100016},
  pages     = {790 -- 805},
  year      = {2011},
  abstract  = {Hole-transporting polymers based on polyethene-triphenylamine derivatives are investigated with respect to their UV/Vis spectra. Two substituents, N-phenyl-1-naphthylamine and carbazole, are examined as their respective polymer light-emitting diodes (PLEDs) show very different luminous efficiencies. In order to identify the origin of these phenomena electronic structure calculations based on TD-DFT were performed using monomer models of the hole-transporting polymers. In experiment these hole-transporting polymers show very specific differences in their absorption and emission (fluorescence and phosphorescence) spectra. The analysis of the simulated absorption and emission spectra, the MOs as well as the ground and excited state geometries give explanations for the different optical performances of the corresponding PLEDs.},
  language  = {en}
}
@article{SalertKruegerBagnichetal.2013,
  author    = {Salert, Beatrice Ch. D. and Krueger, Hartmut and Bagnich, Sergey A. and Unger, Thomas and Jaiser, Frank and Al-Sa'di, Mahmoud and Neher, Dieter and Hayer, Anna and Eberle, Thomas},
  title     = {New polymer matrix system for phosphorescent organic light-emitting diodes and the role of the small molecular co-host},
  series = {Journal of polymer science : A, Polymer chemistry},
  volume    = {51},
  journal   = {Journal of polymer science : A, Polymer chemistry},
  number    = {3},
  publisher = {Wiley-Blackwell},
  address   = {Hoboken},
  issn      = {0887-624X},
  doi       = {10.1002/pola.26409},
  pages     = {601 -- 613},
  year      = {2013},
  abstract  = {A new matrix system for phosphorescent organic light-emitting diodes (OLEDs) based on an electron transporting component attached to an inert polymer backbone, an electronically neutral co-host, and a phosphorescent dye that serves as both emitter and hole conductor are presented. The inert co-host is used either as small molecules or covalently connected to the same chain as the electron-transporting host. The use of a small molecular inert co-host in the active layer is shown to be highly advantageous in comparison to a purely polymeric matrix bearing the same functionalities. Analysis of the dye phosphorescence decay in pure polymer, small molecular co-host film, and their blend lets to conclude that dye molecules distribute mostly in the small molecular co-host phase, where the co-host prevents agglomeration and self-quenching of the phosphorescence as well as energy transfer to the electron transporting units. In addition, the co-host accumulates at the anode interface where it acts as electron blocking layer and improves hole injection. This favorable phase separation between polymeric and small molecular components results in devices with efficiencies of about 47 cd/A at a luminance of 1000 cd/m(2). Investigation of OLED degradation demonstrates the presence of two time regimes: one fast component that leads to a strong decrease at short times followed by a slower decrease at longer times. Unlike the long time degradation, the efficiency loss that occurs at short times is reversible and can be recovered by annealing of the device at 180 degrees C. We also show that the long-time degradation must be related to a change of the optical and electrical bulk properties.},
  language  = {en}
}
@article{ProctorKimNeheretal.2013,
  author    = {Proctor, Christopher M. and Kim, Chunki and Neher, Dieter and Thuc-Quyen Nguyen,},
  title     = {Nongeminate recombination and charge transport limitations in diketopyrrolopyrrole-based solution-processed small molecule solar cells},
  series = {Advanced functional materials},
  volume    = {23},
  journal   = {Advanced functional materials},
  number    = {28},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1616-301X},
  doi       = {10.1002/adfm.201202643},
  pages     = {3584 -- 3594},
  year      = {2013},
  abstract  = {Charge transport and nongeminate recombination are investigated in two solution-processed small molecule bulk heterojunction solar cells consisting of diketopyrrolopyrrole (DPP)-based donor molecules, mono-DPP and bis-DPP, blended with [6,6]-phenyl-C71-butyric acid methyl ester (PCBM). While the bis-DPP system exhibits a high fill factor (62\%) the mono-DPP system suffers from pronounced voltage dependent losses, which limit both the fill factor (46\%) and short circuit current. A method to determine the average charge carrier density, recombination current, and effective carrier lifetime in operating solar cells as a function of applied bias is demonstrated. These results and light intensity measurements of the current-voltage characteristics indicate that the mono-DPP system is severely limited by nongeminate recombination losses. Further analysis reveals that the most significant factor leading to the difference in fill factor is the comparatively poor hole transport properties in the mono-DPP system (2 x 10(-5) cm(2) V-1 s(-1) versus 34 x 10(-5) cm(2) V-1 s(-1)). These results suggest that future design of donor molecules for organic photovoltaics should aim to increase charge carrier mobility thereby enabling faster sweep out of charge carriers before they are lost to nongeminate recombination.},
  language  = {en}
}