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Mobility bands

Zhuping Fei, Yang Han, Eliot Gann, Thomas Hodsden, Anthony Chesman, Christopher R McNeill, Thomas D Anthopoulos, Martin Heeney
We report the synthesis of two new selenophene containing ladder-type monomers, cyclopentadiselenophene (CDS) and indacenodiselenophene (IDSe), via a twofold and fourfold Pd catalyzed coupling with a 1,1-diborylmethane derivative. Co-polymers with benzothiadiazole (BT) were prepared in high yield by Suzuki polymerization to afford co-polymers which exhibited excellent solubility in a range of non-chlorinated solvents. The CDS co-polymer exhibited a band gap of just 1.18 eV, which is amongst the lowest reported for donor-acceptor polymers...
May 26, 2017: Journal of the American Chemical Society
Vinila N Viswanathan, Arun D Rao, Upendra K Pandey, Arul Varman Kesavan, Praveen C Ramamurthy
A series of low band gap, planar conjugated polymers, P1 (PFDTBT), P2 (PFDTDFBT) and P3 (PFDTTBT), based on fluorene and benzothiadiazole, was synthesized. The effect of fluorine substitution and fused aromatic spacers on the optoelectronic and photovoltaic performance was studied. The polymer, derived from dithienylated benzothiodiazole and fluorene, P1, exhibited a highest occupied molecular orbital (HOMO) energy level at -5.48 eV. Density functional theory (DFT) studies as well as experimental measurements suggested that upon substitution of the acceptor with fluorine, both the HOMO and lowest unoccupied molecular orbital (LUMO) energy levels of the resulting polymer, P2, were lowered, leading to a higher open circuit voltage and short circuit current with an overall improvement of more than 110% for the photovoltaic devices...
2017: Beilstein Journal of Organic Chemistry
Xuncheng Liu, Bo He, Christopher L Anderson, Jun Kang, Teresa Chen, Jinxiang Chen, Shizhen Feng, Lianjie Zhang, Matthew A Kolaczkowski, Simon J Teat, Michael A Brady, Chenhui Zhu, Lin-Wang Wang, Junwu Chen, Yi Liu
Quinoidal structures incorporating expanded para-quinodimethane (p-QM) units have garnered great interest as functional organic electronic, optical and magnetic materials. The direct use of the compact p-QM unit as an electronic building block, however, has been inhibited by the high reactivity conveyed by its biradical character. Herein, we introduce a stable p-QM variant, namely p-azaquinodimethane (p-AQM) that incorporates nitrogen atoms in the central ring and alkoxy substituents on the periphery to increase the stability of the quinoidal structure...
May 24, 2017: Journal of the American Chemical Society
Rahul Singh, Ranjith Kottokkaran, Vikram L Dalal, Ganesh Balasubramanian
Organic/inorganic lead and tin halide perovskites (CH3NH3PbI3 and CH3NH3SnI3) have been promising for photovoltaics because of their high charge carrier mobility, and large absorption coefficient and diffusion length. Both these perovskites also have a notable Seebeck coefficient, depending on the doping level, indicating their potential as thermoelectrics. We create superlattices of these hybrid organic-inorganic halide perovskites and investigate electronic transport through them using first principles computations and experiments...
May 23, 2017: Nanoscale
Marco Gabella, Andreas Leuenberger
The radio noise that comes from the Sun has been reported in literature as a reference signal to check the quality of dual-polarization weather radar receivers for the S-band and C-band. In most cases, the focus was on relative calibration: horizontal and vertical polarizations were evaluated versus the reference signal mainly in terms of standard deviation of the difference. This means that the investigated radar receivers were able to reproduce the slowly varying component of the microwave signal emitted by the Sun...
May 22, 2017: Sensors
Xiao Li, Caina Lin, Cuicui Liu, Songjian Ke, Qing Wan, Haijie Luo, Zhuxi Huang, Wenjun Xin, Chao Ma, Shaoling Wu
BACKGROUND: Chronic computer-related neck pain is common among office workers. Studies have proposed neck strengthening exercise as a therapy to pain relieving and function improvement. The aim of this study was to compare the efficacy of different loading resistance trainings and we hypothesized that women with work-related neck pain could benefit more from progressive resistance training for pain and function recovery. METHODS: A randomized controlled trial was conducted and subjects characterized by monotonous jobs were recruited...
May 20, 2017: International Archives of Occupational and Environmental Health
Liyuan Chai, Jinqin Yang, Ning Zhang, Pin-Jiun Wu, Qingzhu Li, Qingwei Wang, Hui Liu, Haibo Yi
Aqueous complexes between ferric (Fe(III)) and arsenate (As(V)) are indispensable for understanding the mobility of arsenic (As) in Fe(III)-As(V)-rich systems. In this study, aqueous Fe(III)-As(V) complexes, FeH2AsO4(2+) and FeHAsO4(+), were postulated based on the qualitative analysis of UV-Vis spectra in both Fe(III)-As(V)-HClO4 and Fe(III)-As(V)-H2SO4 systems. Subsequently, monodentate structures were evidenced by Fe K-edge EXAFS and modeled as [FeH2AsO4(H2O)5](2+) and [FeHAsO4(H2O)5](+) by DFT. The feature band at ∼280 nm was verified as electron excitation chiefly from Fe-As-bridged O atoms to d-orbital of Fe in [FeH2AsO4(H2O)5](2+) and [FeHAsO4(H2O)5](+)...
May 3, 2017: Chemosphere
Min Je Kim, Shinyoung Choi, Myeongjae Lee, Hyojung Heo, Youngu Lee, Jeong Ho Cho, BongSoo Kim
In this manuscript, low bandgap pTTDPP-BT polymers based on electron-accepting pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (DPP) and benzothiadiazole (BT) and electron-donating thienothiophene (TT) moieties were synthesized. Phototransistors have been fabricated using ambipolar-behaving pTTDPP-BT polymers as active channel materials. The electrical and photo-responsive properties of the pTTDPP-BT phototransistors were strongly dependent on the film annealing temperature. As-spun pTTDPP-BT phototransistors exhibited a low hole mobility of 0...
May 19, 2017: ACS Applied Materials & Interfaces
Li-Fei Ji, Jian-Xun Fan, Shou-Feng Zhang, Ai-Min Ren
A theoretical study was carried out to investigate the electronic structures and the charge transport properties of a series of naphthodithiophene diimide (NDTI) thiophene α-substituted derivatives NDTI-X using density functional theory and classical Marcus charge transfer theory. This study deeply revealed the structure-property relationships by analyzing the intermolecular interactions in crystal structures of C8-NDTI and C8-NDTI-Cl thoroughly by using the Hirshfeld surface, QTAIM theories and symmetry-adapted perturbation theory (SAPT)...
May 18, 2017: Physical Chemistry Chemical Physics: PCCP
Pietro Persiani, Filippo M Ranaldi, Jole Graci, Claudia De Cristo, Anna Zambrano, Patrizia D'Eufemia, Lorena Martini, Ciro Villani
The purpose of this study is to compare the results of 2 techniques, tension band wiring (TBW) and fixation with screws, in olecranon fractures in children affected with osteogenesis imperfecta (OI) type I. Between 2010 and 2014, 21 olecranon fractures in 18 children with OI (average age: 12 years old) were treated surgically. Ten patients were treated with the screw fixation and 11 with TBW. A total of 65% of olecranon fractures occurred as a result of a spontaneous avulsion of the olecranon during the contraction of the triceps muscle...
May 2017: Medicine (Baltimore)
Xiao Yuan, Mingye Yang, Lu Wang, Youyong Li
Based on the first-principles calculations, we systematically studied the structures and electronic properties of two-dimensional (2D) transition metal dichalcogenide (TMD) alloys with half-to-half mixing of S and Se. Using the chemical potentials of S and Se, the energetic phase diagrams for both single phases and mixed phases of TMD were constructed. A new heterolayer structure (for Sc and Ti) and alternating structure (for Cr, Mn, Fe, Zr, Mo, and W) were proposed for the first time, which were thermodynamically stable for MSSe alloys under the S-poor (relatively low chemical potential of S) and Se-rich (relatively high chemical potential of Se) conditions, and further compared with the disordered structures...
May 17, 2017: Physical Chemistry Chemical Physics: PCCP
Yihui He, Oleg Y Kontsevoi, Constantinos C Stoumpos, Giancarlo Trimarchi, Saiful M Islam, Zhifu Liu, Svetlana S Kostina, Sanjib Das, Bruce W Wessels, Mercouri G Kanatzidis, Joon-Il Kim, Wenwen Lin
The high Z chalcohalides Hg3Q2I2 (Q = S, Se and Te) can be regarded as anti-perovskite structure with ordered vacancies and are demonstrated to be very promising candidates for X- and γ-ray semiconductor detectors. Depending on Q the ordering of the Hg vacancies in these defect anti-perovskites varies and yields a rich family of distinct crystal structures ranging from zero-dimensional to three-dimensional, with a dramatic effect on the properties of each compound. All three Hg3Q2I2 compounds show very suitable optical, electrical, and good mechanical properties required for radiation detection at room temperature...
May 15, 2017: Journal of the American Chemical Society
Martha M Morcoss, Nada S Abdelwahab, Nouruddin W Ali, Mohammed T Elsaady
Two sensitive, accurate and precise chromatographic methods mentioned as TLC-densitometric method and RP-HPLC-DAD method, were developed and validated for the simultaneous determination of mefenamic acid (MEF) and its two toxic impurities, benzoic acid (BA) and 2,3-dimethylaniline (DMA). In the proposed TLC-densitometric method a developing system consisting of chloroform:acetone:acetic acid:ammonia solution(70:30:2:2, v/v/v/v) was used, TLC aluminum plates 60 F254 was used as a stationary phase and the separated bands were UV-scanned at 225 nm...
May 11, 2017: Journal of Chromatographic Science
R R Wu, L A Hamlow, C C He, Y-W Nei, G Berden, J Oomens, M T Rodgers
The gas-phase conformations of the protonated forms of the DNA and RNA cytosine mononucleotides, [pdCyd+H](+) and [pCyd+H](+), are examined by infrared multiple photon dissociation (IRMPD) action spectroscopy over the IR fingerprint and hydrogen-stretching regions complemented by electronic structure calculations. The low-energy conformations of [pdCyd+H](+) and [pCyd+H](+) and their relative stabilities are computed at the B3LYP/6-311+G(2d,2p)//B3LYP/6-311+G(d,p) and MP2(full)/6-311+G(2d,2p)//B3LYP/6-311+G(d,p) levels of theory...
May 11, 2017: Journal of the American Society for Mass Spectrometry
Y C Huang, X Chen, C Wang, L Peng, Q Qian, S F Wang
Black phosphorus is a layered semiconducting allotrope of phosphorus with high carrier mobility. Its monolayer form, phosphorene, is an extremely fashionable two-dimensional material which has promising potential in transistors, optoelectronics and electronics. However, phosphorene-like analogues, especially phosphorene-based heterostructures and their layer-controlled electronic properties, are rarely systematically investigated. In this paper, the layer-dependent structural and electronic properties of phosphorene-like materials, i...
May 10, 2017: Nanoscale
José Cancela, Estrella Pallin, Ander Orbegozo, Carlos Ayán
This study aimed at comparing the effects of three chair-based exercise programs on people over 80 years. Thirty-six participants (87.91 ± 4.70 years) were randomly allocated to an elastic-band, pedal exerciser or range of motion exercise program. The participants exercised three days per week during three months. A hand-held dynamometer, the Tinetti Gait Balance, the Barthel Index and the Timed Up & Go tests (assessed by means of the Wiva® science sensor) were used to evaluate the effects of the programs on the participants strength, balance, functional independence and functional mobility, respectively...
May 8, 2017: Rejuvenation Research
Han Peng, Niels B M Schröter, Jianbo Yin, Huan Wang, Ting-Fung Chung, Haifeng Yang, Sandy Ekahana, Zhongkai Liu, Juan Jiang, Lexian Yang, Teng Zhang, Cheng Chen, Heng Ni, Alexey Barinov, Yong P Chen, Zhongfan Liu, Hailin Peng, Yulin Chen
Graphene has demonstrated great potential in new-generation electronic applications due to its unique electronic properties such as large carrier Fermi velocity, ultrahigh carrier mobility, and high material stability. Interestingly, the electronic structures can be further engineered in multilayer graphene by the introduction of a twist angle between different layers to create van Hove singularities (vHSs) at adjustable binding energy. In this work, using angle-resolved photoemission spectroscopy with sub-micrometer spatial resolution, the band structures and their evolution are systematically studied with twist angle in bilayer and trilayer graphene sheets...
May 8, 2017: Advanced Materials
Qian Cao, Ya-Wei Dai, Jing Xu, Lin Chen, Hao Zhu, Qing-Qing Sun, David Wei Zhang
Two-dimensional (2D) semiconductors have become promising candidates for nanoelectronics applications due to their unique layered structure and rich physical properties. However, the significant lack of reproducible p-type doping methods that can avoid the instability induced by the widely used charge transfer doping method greatly limits the applications of these semiconductors in complementary metal-oxide-semiconductor (CMOS) integrated digital circuits. This work presents a new scheme to realize stable p-type doping for WS2 with excellent layer controllability, wafer-level uniformity, and high reproducibility at the same time...
May 16, 2017: ACS Applied Materials & Interfaces
Eiji Kinoshita, Emiko Kinoshita-Kikuta, Tohru Koike
In this chapter, we provide a standard protocol for phosphate-affinity sodium dodecyl sulfate-polyacrylamide gel electrophoresis (Zn(2+)-Phos-tag SDS-PAGE). This technique uses a dizinc(II) complex of the phosphate-binding molecule Phos-tag in conjunction with a neutral-pH gel system, Tris [tris(hydroxymethyl)aminomethane], and acetic acid (Tris-AcOH), to detect shifts in the mobility of phosphorylated ataxia telangiectasia-mutated (ATM) kinase. This protocol, which employs a 3% (w/v) polyacrylamide gel strengthened with 0...
2017: Methods in Molecular Biology
Dimple, Nityasagar Jena, Abir De Sarkar
Strain and temperature induced tunability in the thermoelectric properties in monolayer MoS2 (ML-MoS2) has been demonstrated using density functional theory coupled to semi-classical Boltzmann transport theory. Compressive strain, in general and uniaxial compressive strain (along the zig-zag direction), in particular, is found to be most effective in enhancing the thermoelectric power factor, owing to the higher electronic mobility and its sensitivity to lattice compression along this direction. Variation in the Seebeck coefficient and electronic band gap with strain is found to follow the Goldsmid-Sharp relation...
June 7, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
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