Karriere-Handbuch

We design and synthesize four fused-ring electron acceptors based on 6,6,12,12-tetrakis(4-hexylphenyl)- indacenobis(dithieno[3,2-b;2′,3′-d]thiophene) as the electron- rich unit and 1,1-dicyanomethylene-3-indanones with 0− 2 fluorine substituents as the electron-deficient units. These four molecules exhibit broad (550−850 nm) and strong absorption with high extinction coefficients of (2.1−2.5) × 105 M−1 cm−1. Fluorine substitution downshifts the LUMO energy level, red-shifts the absorption spectrum, and enhances electron mobility. The polymer solar cells based on the fluorinated electron acceptors exhibit power conversion efficiencies as high as 11.5%, much higher than that of their nonfluorinated counterpart (7.7%). We investigate the effects of the fluorine atom number and position on electronic properties, charge transport, film morphology, and photovoltaic properties

Single-Junction Binary-Blend Nonfullerene Polymer Solar Cells with 12.1% Efficiency

A new fluorinated nonfullerene acceptor, ITIC-Th1, has been designed and synthesized by introducing fluorine (F) atoms onto the end-capping group 1,1-dicyanomethylene-3-indanone (IC). On the one hand, incorporation of F would improve intramolecular interaction, enhance the push–pull effect between the donor unit indacenodithieno[3,2-b]thiophene and the acceptor unit IC due to electron-withdrawing effect of F, and finally adjust energy levels and reduce bandgap, which is beneficial to light harvesting and enhancing short-circuit current density (JSC). On the other hand, incorporation of F would improve intermolecular interactions through C-F···S, C-F···H, and C-F···π noncovalent interactions and enhance electron mobility, which is beneficial to enhancing JSC and fill factor. Indeed, the results show that fluorinated ITIC-Th1 exhibits redshifted absorption, smaller optical bandgap, and higher electron mobility than the nonfluorinated ITIC-Th. Furthermore, nonfullerene organic solar cells (OSCs) based on fluorinated ITIC-Th1 electron acceptor and a wide-bandgap polymer donor FTAZ based on benzodithiophene and benzotriazole exhibit power conversion efficiency (PCE) as high as 12.1%, significantly higher than that of nonfluorinated ITIC-Th (8.88%). The PCE of 12.1% is the highest in fullerene and nonfullerene-based single-junction binary-blend OSCs. Moreover, the OSCs based on FTAZ:ITIC-Th1 show much better efficiency and better stability than the control devices based on FTAZ:PC71BM (PCE = 5.22%)

Theoretical Studies of the Spin-Dependent Electronic Transport Properties in Ethynyl-Terminated Ferrocene Molecular Junctions

The spin-dependent electron transport in the ferrocene-based molecular junctions, in which the molecules are 1,3-substituted and 1,3′-substituted ethynyl ferrocenes, respectively, is studied by the theoretical simulation with nonequilibrium Green’s function and density functional theory. The calculated results suggest that the substitution position of the terminal ethynyl groups has a great effect on the spin-dependent current-voltage properties and the spin filtering efficiency of the molecular junctions. At the lower bias, high spin filtering efficiency is found in 1,3′-substituted ethynyl ferrocene junction, which suggests that the spin filtering efficiency is also dependent on the bias voltage. The different spin-dependent transport properties for the two molecular junctions originate from their different evolutions of spin-up and spin-down energy levels

A rectifying diode with hysteresis effect from an electroactive hybrid of carbazole-functionalized polystyrene with CdTe nanocrystals via electrostatic interaction

One of the strategies to tune current-voltage behaviors in organic diodes is to combine field-induced charge transfer processes with schottky barrier. According to this principle, a rectifying diode with hysteresis effect was fabricated utilizing a hybrid of electroactive polystyrene derivative covalently tethered with electron-donor carbazole moieties and electrostatic linked with electron-acceptor CdTe nanocrystals. Current-voltage characteristics show an electrical switching behavior with some hysteresis is only observed under a negative bias, with three orders of On/Off current ratio. The hybrid material based rectifier exhibits a rectification ratio of six and its maximum rectified output current is about 5 × 10−5 A. The asymmetric switching is interpreted as the result of both field induced charge transfer and schottky barrier, capable of reducing the misreading of cross-bar memory. Meanwhile, chemical doping of CdTe nanocrystals instead of physical blend favor their uniform dispersion in matrix and stable operation of device

Single‐Junction Binary‐Blend Nonfullerene Polymer Solar Cells with 12.1% Efficiency

A new fluorinated nonfullerene acceptor, ITIC-Th1, has been designed and synthesized by introducing fluorine (F) atoms onto the end-capping group 1,1-dicyanomethylene-3-indanone (IC). On the one hand, incorporation of F would improve intramolecular interaction, enhance the push-pull effect between the donor unit indacenodithieno[3,2-b] thiophene and the acceptor unit IC due to electron-withdrawing effect of F, and finally adjust energy levels and reduce bandgap, which is beneficial to light harvesting and enhancing short-circuit current density (JSC). On the other hand, incorporation of F would improve intermolecular interactions through C. F center dot center dot center dot S, C. F center dot center dot center dot H, and C. F center dot center dot center dot pi noncovalent interactions and enhance electron mobility, which is beneficial to enhancing JSC and fill factor. Indeed, the results show that fluorinated ITIC-Th1 exhibits redshifted absorption, smaller optical bandgap, and higher electron mobility than the nonfluorinated ITIC-Th. Furthermore, nonfullerene organic solar cells (OSCs) based on fluorinated ITIC-Th1 electron acceptor and a wide-bandgap polymer donor FTAZ based on benzodithiophene and benzotriazole exhibit power conversion efficiency (PCE) as high as 12.1%, significantly higher than that of nonfluorinated ITIC-Th (8.88%). The PCE of 12.1% is the highest in fullerene and nonfullerene-based single-junction binary-blend OSCs. Moreover, the OSCs based on FTAZ: ITIC-Th1 show much better efficiency and better stability than the control devices based on FTAZ: PC71BM (PCE = 5.22%).973 Program [2013CB834702]; National Natural Science Foundation of China [91433114]; Office of Naval Research [N000141410221]; National Science Foundation [DMR-1507249]; Ministry of Science and Technology [2016YFA0200700]; NSFC [21504066, 21534003]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]SCI(E)ARTICLE182

High Color Rendering Index White-Light Emission from UV-Driven LEDs Based on Single Luminescent Materials: Two-Dimensional Perovskites (C₆H₅C₂H₄NH₃)₂PbBr<i>_x</i>Cl_4–<i>x</i>

Two-dimensional (2D) white-light-emitting hybrid perovskites (WHPs) are promising active materials for single-component white-light-emitting diodes (WLEDs) driven by UV. However, the reported WHPs exhibit low quantum yields (≤9%) and low color rendering index (CRI) values less than 85, which does not satisfy the demand of solid-state lighting applications. In this work, we report a series of mixed-halide 2D layered WHPs (C₆H₅C₂H₄NH₃)₂PbBr<i>_x</i>Cl_4–<i>x</i> (0 < <i>x</i> < 4) obtained from the phenethylammonium cation. Unlike the reported WHPs including (C₆H₅C₂H₄NH₃)₂PbCl₄, the mixed-halide perovskites display morphology-dependent white emission for the different extents of self-absorption. Additionally, the amount of Br has a huge influence on the photophysical properties of mixed-halide WHPs. With the increasing content of Br, the quantum yields of WHPs increase gradually from 0.2 to 16.9%, accompanied by tunable color temperatures ranging from 4000 K (“warm” white light) to 7000 K (“cold” white light). When applied to the WLEDs, the mixed-halide perovskite powders exhibit tunable white electroluminescent emission with very high CRI of 87–91