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We investigate the mechanical properties of $\pi$-conjugated polymeric materials composed of regioregular poly(3-hexylthiophene) (P3HT) and fullerene C$_{60}$ using coarse-grained molecular dynamics simulations. Specifically, we perform…
Blends of polymer and C$_{60}$-derived molecules are in the spotlight in recent years for application in organic photovoltaics, forming what is known as bulk-heterojunction active layers. The character of the heterojunction is determinant,…
The doping of lighter non-metals like boron and nitrogen into graphene represents a promising advancement in the field of nano-electronic devices, particularly in the development of field-effect transistors (FETs). These doped…
Organic semiconductors possess an intrinsic energetic disorder characteristic, which holds an exceptionally important role for understanding organic photovoltaic (OPV) operation and future optimization. We performed illumination intensity…
The ongoing depletion of fossil fuels has led to an intensive search for additional renewable energy sources. Solar-based technologies could provide sufficient energy to satisfy the global economic demands in the near future. Photovoltaic…
Current-based deep level transient spectroscopy was used to study trap states in poly(3- hexylthiophene-2,5-diyl) (P3HT), [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) and P3HT:PCBM blend. The obtained spectra showed traps of 87 meV…
We investigated the charge carrier mobility in pristine poly(3-hexyl thiophene-2,5-diyl) (P3HT):[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) blend devices by applying the time resolved photoconductivity experiment in dependence on the…
The atomic and electronic structures of Pd3N, PdN and PdN2 were investigated using ab initio density-functional theory (DFT). We studied cohesive energy vs. volume equation of states (EOS) for a set of reported and hypothetical structures.…
We investigated the photocurrent in poly(3-hexylthiophene-2,5-diyl) (P3HT):[6,6]-phenyl-C$_{61}$ butyric acid methyl ester (PCBM) solar cells by applying a pulsed measurement technique. For annealed samples, a point of optimal symmetry…
Built-in electric fields across heterojunctions between semiconducting materials underpin the functionality of modern device technologies. Heterojunctions between semiconductors and epitaxially grown crystalline oxides provide a rich…
Layered two-dimensional (2-D) semiconductors can be combined with other low-dimensional semiconductors to form non-planar mixed-dimensional van der Waals (vdW) heterojunctions whose charge transport behavior is influenced by the…
In this study, we investigate the morphological, structural, and optical properties of both bulk-heterojunction and composite nanotubes that composed of thiophene-based small molecules BHBT2 and fullerene PC71BM. Mix-blended and…
Recombination of photogenerated charge carriers in polymer bulk heterojunction (BHJ) solar cells reduces the short circuit current (Jsc) and the fill factor (FF). Identifying the mechanism of recombination is, therefore, fundamentally…
We present a neutron spectroscopy based method to study quantitatively the partial miscibility and phase behaviour of an organic photovoltaic active layer made of conjugated polymer:small molecule blends, presently illustrated with the…
As the responsivity (R) of a thin film photo detector is proportional to the product of the photo-induced carrier density (n) and mobility (u) (Z. Sun, Z. Liu, J. Li, G.-a. Tai, S. Lau and F. Yan, Adv. Mater., 24, 5878, 2012), which of the…
Hybrid materials are crucial in photovoltaics where the overall efficiency of the heterostructure is closely related to the level of charge transfer at the interface. Here, using various metal / poly(3-hexylthiophene)(P3HT) heterostructure…
We investigated photogeneration yield and recombination dynamics in blends of poly(3-hexyl thiophene) (P3HT) and poly[2-methoxy-5-(30,70-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) with [6,6]- phenyl-C61 butyric acid methyl ester…
Understanding of degradation mechanisms in polymer:fullerene bulk-heterojunctions on the microscopic level aimed at improving their intrinsic stability is crucial for the breakthrough of organic photovoltaics. These materials are vulnerable…
Heterojunction, a photoelectric conversion center, plays a critical role in photo detection. A compare study is performed on field effect phototransistors (FEpT) with two typical heterojunctions based on graphene and PbSe quantum dots (QDs)…
Non-fullerene acceptors based on perylenediimides (PDIs) have garnered significant interest as an alternative to fullerene acceptors in organic photovoltaics (OPVs), but their charge transport phenomena are not well understood, especially…