Lima, Igo T.; Risko, Chad; Aziz, Saadullah Gary; Da Silva Filho, Demétrio A Da Silva; Bredas, Jean-Luc(J. Mater. Chem. C, Royal Society of Chemistry (RSC), 2014)[Article]
Donor-acceptor π-conjugated copolymers are of interest for a wide range of electronic applications, including field-effect transistors and solar cells. Here, we present a density functional theory (DFT) study of the impact of varying the conjugation pathway on the geometric, electronic, and optical properties of donor-acceptor systems. We consider both linear ("in series"), traditional conjugation among the donor-acceptor moieties versus structures where the acceptor units are appended orthogonally to the linear, donor-only conjugated backbone. Long-range-corrected hybrid functionals are used in the investigation with the values of the tuned long-range separation parameters providing an estimate of the extent of conjugation as a function of the oligomer architecture. Considerable differences in the electronic and optical properties are determined as a function of the nature of the conjugation pathway, features that should be taken into account in the design of donor-acceptor copolymers.
Mishra, Pawan; Ng, Tien Khee; Janjua, Bilal; Shen, Chao; Eid, Jessica; Alyamani, Ahmed Y.; El-Desouki, Munir M.; Ooi, Boon S.(2014 IEEE Photonics Conference, Institute of Electrical and Electronics Engineers (IEEE), 2014-12)[Conference Paper]
We report a significant improvement in the electrical characteristic of compositionally graded InGaN/GaN multiple-quantum-well (MQWs) micro-LED. The efficiency droop in this device occurred at ∼20 times higher injection levels (∼275 A/cm2) compared to a conventional step-MQWs microLED (∼14 A/cm2).
Sheikh, Arif D.; Bera, Ashok; Haque, Mohammed; Baby, Rakhi Raghavan; Del Gobbo, Silvano; Alshareef, Husam N.; Wu, Tao(Solar Energy Materials and Solar Cells, Elsevier BV, 2015-06)[Article]
Organometal trihalide perovskite solar cells have recently attracted lots of attention in the photovoltaic community due to their escalating efficiency and solution processability. The most efficient organometallic mixed-halide sensitized solar cells often employ 2,2′7,7′-tetrakis-(N,N-di-p-methoxyphenyl-amine)-9,9′-spirobifluorene (spiro-MeOTAD) as the hole-transporting material. In this work, we investigated the effect of different atmospheric storage conditions, particularly vacuum, dry nitrogen, and dry air, on the photovoltaic performance of TiO2-CH3NH3PbI3-xClx-spiro-MeOTAD solar cells. We found that spin coating of spiro-MeOTAD in an oxygen atmosphere alone was not adequate to functionalize its hole-transport property completely, and our systematic experiments revealed that the device efficiency depends on the ambient atmospheric conditions during the drying process of spiro-MeOTAD. Complementary incident photon to current conversion efficiency (IPCE), light absorption and photoluminescence quenching measurements allowed us to attribute the atmosphere-dependent efficiency to the improved electronic characteristics of the solar cells. Furthermore, our Fourier transform infrared and electrical impedance measurements unambiguously detected modifications in the spiro-MeOTAD after the drying processes in different gas environments. Our findings demonstrate that proper oxidization and p-doping in functionalizing spiro-MeOTAD play a very critical role in determining device performance. These findings will facilitate the search for alternative hole-transporting materials in high-performance perovskite solar cells with long-term stability.
Bakr, Osman; Pan, Jun; El-Ballouli, Ala’a O.; Knudsen, Kristian Rahbek; Abdelhady, Ahmed L.(2015-05-28)[Patent]
Embodiments of the present disclosure provide for methods of making quantum dots (QDs) (passivated or unpassivated) using a continuous flow process, systems for making QDs using a continuous flow process, and the like. In one or more embodiments, the QDs produced using embodiments of the present disclosure can be used in solar photovoltaic cells, bio-imaging, IR emitters, or LEDs.
Giovannitti, Alexander; Nielsen, Christian B.; Sbircea, Dan-Tiberiu; Inal, Sahika; Donahue, Mary; Niazi, Muhammad Rizwan; Hanifi, David A.; Amassian, Aram; Malliaras, George G.; Rivnay, Jonathan; McCulloch, Iain(Nature Communications, Springer Nature, 2016-10-07)[Article]
Organic electrochemical transistors (OECTs) are receiving significant attention due to their ability to efficiently transduce biological signals. A major limitation of this technology is that only p-type materials have been reported, which precludes the development of complementary circuits, and limits sensor technologies. Here, we report the first ever n-type OECT, with relatively balanced ambipolar charge transport characteristics based on a polymer that supports both hole and electron transport along its backbone when doped through an aqueous electrolyte and in the presence of oxygen. This new semiconducting polymer is designed specifically to facilitate ion transport and promote electrochemical doping. Stability measurements in water show no degradation when tested for 2 h under continuous cycling. This demonstration opens the possibility to develop complementary circuits based on OECTs and to improve the sophistication of bioelectronic devices.
This study reports the development of copper(I) thiocyanate (CuSCN) hole-transport layers (HTLs) processed from aqueous ammonia as a novel alternative to conventional n-alkyl sulfide solvents. Wide bandgap (3.4–3.9 eV) and ultrathin (3–5 nm) layers of CuSCN are formed when the aqueous CuSCN–ammine complex solution is spin-cast in air and annealed at 100 °C. X-ray photoelectron spectroscopy confirms the high compositional purity of the formed CuSCN layers, while the high-resolution valence band spectra agree with first-principles calculations. Study of the hole-transport properties using field-effect transistor measurements reveals that the aqueous-processed CuSCN layers exhibit a fivefold higher hole mobility than films processed from diethyl sulfide solutions with the maximum values approaching 0.1 cm2 V−1 s−1. A further interesting characteristic is the low surface roughness of the resulting CuSCN layers, which in the case of solar cells helps to planarize the indium tin oxide anode. Organic bulk heterojunction and planar organometal halide perovskite solar cells based on aqueous-processed CuSCN HTLs yield power conversion efficiency of 10.7% and 17.5%, respectively. Importantly, aqueous-processed CuSCN-based cells consistently outperform devices based on poly(3,4-ethylenedioxythiophene) polystyrene sulfonate HTLs. This is the first report on CuSCN films and devices processed via an aqueous-based synthetic route that is compatible with high-throughput manufacturing and paves the way for further developments.
Wang, Haitao; Bai, Fuquan; Jia, Xiaoshi; Cao, Di; Ravva, Mahesh Kumar; Bredas, Jean-Luc; Qu, Songnan; Bai, Binglian; Zhang, Hongxing; Li, Min(RSC Adv., Royal Society of Chemistry (RSC), 2014)[Article]
The molecular aggregation structure of 5,5′-bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) (BOXD-NP) was studied by computing the intermolecular interaction potential energy surface (PES) at density functional theory level based on a dimer model. All B3LYP, CAM-B3LYP and M062x functionals can yield a reliable isolated molecular geometry. The conformation of BOXD-NP obtained with all methods is perfectly planar, indicating good conjugation ability between oxadiazole and naphthalene rings. The vibrational frequencies of BOXD-NP were also calculated using the B3LYP/6-311+G∗∗ method, which showed great consistency with the experimental observations and makes the assignments of the IR spectra more solid. It was revealed that the lowest excited state of BOXD-NP should be assigned as a highly allowed π-π∗ state by TD-DFT calculation. Considering the non-covalent interactions in molecular aggregates, the M062x functional was applied in the construction of the PES. Besides the packing structure found in the crystals, PES also predicted several stable structures, indicating that PES has great ability in guiding molecular self-assembly. Symmetry Adapted Perturbation Theory (SAPT) analysis on these energy-minimum molecular stacking structures revealed that London dispersion forces are the strongest attractive component in the binding. This journal is
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