Progress in perylene diimides for organic solar cell applications

Compared to fullerene materials, non-fullerene acceptor materials have in recent years been more widely used in organic solar cell devices due to their optical properties and due to the ease of carrying out syntheses to tune their electronic energy levels. Non-fullerene acceptors constitute a major focus of research in the development of bulk-heterojunction organic solar cells. Recent developments have yielded increased power conversion efficiency (PCE) levels for non-fullerene acceptor materials, with the PCE levels now shown to exceed 20%. Perylene diimide (PDI), a non-fullerene acceptor material, has been widely studied because of its good transmission capacity and strong electron affinity. This paper summarizes the application of PDI molecules as acceptor materials in organic solar cells in recent years, detailing the strategies and approaches of molecular design and their application effects.

This paper summarizes the application of PDI molecules in organic solar cells in recent years, detailing the strategies and approaches of molecular design and their application effects.     

Facile synthesis of novel porous self-assembling hydrogen-bonding covalent organic polymers and their applications towards fluoroquinolone antibiotics adsorption

A series of porous hydrogen-bonding covalent organic polymers (H_COPs) have been synthesized based on three-composite building blocks through a quick and succinct method for fluoroquinolone antibiotics adsorption from aqueous solutions. The porous properties of the H_COPs were regulated and controlled by adjusting the lengths of linkers, and the crystallinity and stability were strengthened due to the introduction of hydrogen bonds in H_COPs. Taking advantage of the porous properties and π-conjugated phenyl rings, as well as functional –CO–NH– and –COOH groups, H_COPs removed organic pollutants from wastewater effectively and showed good reusability. The external adsorption behavior was analyzed using both kinetic analysis and isotherm analysis. The results showed that the adsorption obeys the pseudo-second order kinetic model and follows the Langmuir isotherm model. The obtained maximum adsorption capacity of the four H_COPs was arranged in sequence according to the specific surface areas and pore sizes. Furthermore, the internal mechanisms involving perforated porousness, electrostatic interaction, hydrophobic interaction, π–π electron-donor–acceptor (EDA) interaction and hydrogen bonding formation, were investigated in detail. We envisage broadly applying the H_COPs in the facile and effective management of environmental pollution.

A series of porous hydrogen-bonding covalent organic polymers (H_COPs) have been synthesized based on three-composite building blocks through a quick and succinct method for fluoroquinolone antibiotics adsorption from aqueous solutions.     

Narrowing band gap and enhanced visible-light absorption of metal-doped non-toxic CsSnCl3 metal halides for potential optoelectronic applications

Non-toxic (lead-free) inorganic perovskites have seized the leading position in the race for the commercialization of solar cells and other photovoltaic devices. The present study is the first theoretical approach to show that metal (Cr/Mn)-doped CsSnCl₃ perovskites exhibit high optical absorption, high photoconductivity, and high dielectric constant not only in the visible but also in the ultraviolet region of light energy due to the narrowing band gap. We carried out density functional theory (DFT) investigations to find the structural, electronic, optical, and mechanical properties of pristine CsSnCl₃, Cr-, and Mn-doped CsSnCl₃ samples in detail. The investigation of the optical functions displayed that the absorption edges of both Cr- and Mn-doped CsSnCl₃ shifted greatly in the direction of the low photon energy area (red-shift) compared with the pristine sample. An extra very high intensity peak of absorption was noted for both Cr- and Mn-doped CsSnCl₃ in the visible energy region. The investigation of the mechanical parameters revealed that both Cr- and Mn-doped CsSnCl₃ samples were as mechanically stable and highly ductile as the pure CsSnCl₃ sample. The investigation of the electronic properties demonstrated that the creation of intermediate states in the band gap for both the Cr- and Mn-doped CsSnCl₃ samples made the transition of excited photoelectrons to the conduction band from the valence band easier. A combined study suggested that Mn-doped CsSnCl₃ was better suited for applications in high potency solar cells and other optoelectronic devices than the other inorganic metal halide perovskites.

Non-toxic (lead-free) inorganic perovskites have seized the leading position in the race for the commercialization of solar cells and other photovoltaic devices.     

Design and synthesis of proton-dopable organic semiconductors

This paper shows how protonated 3,4-ethylene dioxythiophene moieties can be used as an end group to make organic conductors. An organic semiconductor 2,5-bis(5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene is designed and synthesized. This molecule could be doped by protonic acid in both solution and solid-state, resulting in a broad absorption in the near-infrared range corresponding to polaron and bipolaron absorption. Electrical conductivity of ca. 0.1 S cm⁻¹ was obtained at 100 °C (to avoid the water uptake by the acid). The adducts with protons bound at the end-thiophene α-position were confirmed by ¹H Nuclear Magnetic Resonance spectra.

The use of protonated 3,4-ethylenedioxythiophene moieties as an end group could be a promising approach to prepare organic conductors.     

Correction: Narrowing band gap and enhanced visible-light absorption of metal-doped non-toxic CsSnCl3 metal halides for potential optoelectronic applications

Correction for ‘Narrowing band gap and enhanced visible-light absorption of metal-doped non-toxic CsSnCl₃ metal halides for potential optoelectronic applications’ by Jakiul Islam et al., RSC Adv., 2020, 10, 7817–7827, DOI: 10.1039/C9RA10407K.

The authors regret that there was a mistake in line 8 of the second paragraph of the right hand column of page 7821 of the original article. The text originally read “indirect band gap was 3.15 eV”. The corrected text should read “indirect band gap was 0.315 eV”.The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.     

UV-selective organic absorbers for the cosensitization of greenhouse-integrated dye-sensitized solar cells: synthesis and computational study

Molecular cosensitization is favorable for manipulating solar radiation through the judicious choice of cosensitizers having complementary absorption spectra. For greenhouse-integrated dye-sensitized solar cells (DSCs), the manipulation of solar radiation is crucial in order to maximize the flow of photosynthetically active radiation (PAR) for the effectual photosynthetic activity of plants; meanwhile, non-PAR is utilized in agrivoltaics for generating electricity. In this study, we report the synthesis of novel four UV-selective absorbers, based on the diimide scaffold, functionalized with carboxylate and pyridyl anchoring groups, for adequate adsorption onto the TiO₂ electrode in DSC. The UV/Vis absorption spectra of the DMF solution-based free dyes were measured experimentally. Basic photophysical and energetics requirements for operating greenhouse-integrated DSCs were examined at the molecular level via (time-dependent) density functional theory-based calculations. The computational results revealed the outperformance of the biphenyldiimide-structured DI-CA1 dye, especially for maximum charge transferred to its anchor, lower thermodynamic barrier for dissociating the photogenerated exciton, largest Stokes'' shift, strong electronic coupling with TiO₂ nanoparticles, and higher degree of charge separation at the DI-CA1/TiO₂ interface. PDOS showed deeper existence for the LUMO level in the CB of TiO₂, which expedites the electron injection process. The chemical and optical compatibility of DI-CA1 were then investigated as a potential cosensitizer of a reference BTD–DTP1, a green light-absorbing dye. Considerable overlap between the fluorescence spectrum of DI-CA1 and absorption spectrum of the reference BTD–DTP1 advocated the opportunity of excitation energy transfer via the radiative trivial reabsorption mechanism, which confirms the cosensitization functionality. Energy decomposition analysis and reduced density gradient maps estimated the chemical compatibility owing to weak dispersion interactions as the dominant stabilizing attractive force. This noncovalent functionalization retains the chemical compatibility without distorting the π–π conjugation and the associated physicochemical properties of the individual dye molecules. Along with the expanded consumption of non-photosynthetically active solar radiation, an improved power conversion efficiency of greenhouse-integrated DSC is accordingly expected.

Molecular cosensitization is favorable for manipulating solar radiation through the judicious choice of cosensitizers having complementary absorption spectra.     

1D and 2D hybrid polymers based on zinc phenylphosphates: synthesis,characterization and applications in electroactive materials

The synthesis, structure and properties of three hybrid polymers based on zinc arylphosphates are described in this study. Zinc bis(diphenylphosphate) (ZnDPhP) was obtained as needle-like crystals containing hexagonally packed, homochiral ¹_∞[Zn(DPhP)_2/2] helical chains. The XRD and DSC studies revealed that upon heating, ZnDPhP undergoes a reversible thermal transition at ca. 160 °C with expansion mainly perpendicular to its c-axis. Zinc phenylphosphate hydrate (ZnMPhP-H) formed plate-like particles with an average thickness of less than 1 μm and much thinner nanolayers with a basal spacing of 15.5 Å. ZnMPhP-H was easily and reversibly dehydrated to its anhydrous form, ZnMPhP-A, which exhibited a somewhat larger basal spacing of 16.5 Å and the capacity for amine intercalation. The thermal decomposition of ZnDPhP or ZnMPhP-A began around 250 °C, resulting in the formation of solid mixtures of zinc phosphates and electron-conducting carbonaceous phases. The bulk electrical conductivities of the poly(vinylidene fluoride)-based composites containing the ZnDPhP pyrolyzates reached 0.1–0.2 S cm⁻¹. Upon mixing with silicone oil, all the synthesized hybrid polymers formed fluids that exhibit significant negative electrorheological effects and have potential for application in electroresponsive smart materials. The application of an electric field during the crosslinking of such systems affected the viscoelastic properties of the resultant solid composites, while the cured systems showed rather small electrorheological effects.

Electrically conducting or electroresponsive smart materials derived from newly synthesized and characterized 1D/2D (nano)particles of zinc phenylphosphates are reported.     

A low temperature organic synthesis of monodispersed NiRu nanocrystals for CO2 methanation

In this study, monodispersed NiRu nanocrystals with a diameter of 3 nm were synthesized at 90 °C via a tuning hot-inject method to lower the temperature of the organic phase synthesis of monodispersed nanomaterials. The key factor for the nanocrystalline formation of NiRu alloy nanocrystals was summarized in detail. Simultaneously, the synergistic effect of Ni and Ru in CO₂ methanation was explored. Doping trace Ru can significantly improve the conversion rate of CO₂ methanation and CH₄ selectivity. The underlying mechanism was studied in detail via X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), temperature-programmed hydrogen reduction (H₂-TPR) and desorption (H₂-TPD) tests, and temperature-programmed desorption of CO₂ (CO₂-TPD). This study gives out a new way for the general synthesis of monodisperse nickel-based nanocrystals and provides a reference for the development and application of monodispersed nanoparticles for CO₂ methanation.

Monodisperse NiRu NPs synthesized by a tuning hot-inject method was loaded on Al₂O₃ as a building bulk for CO₂ methanation.     

Effects of Cr- and Mn-alloying on the band gap tuning,and optical and electronic properties of lead-free CsSnBr3 perovskites for optoelectronic applications

Nowadays, lead-free metal halide perovskite materials have become more popular in the field of commercialization owing to their potential use in solar cells and for other optoelectronic applications. In this study, we used density functional theory to determine the different optoelectronic properties, such as structural, optical, electronic, and elastic properties, of pure CsSnBr₃ and metal (Cr/Mn) alloyed CsSnBr₃. The present study suggests high absorption with a narrow band gap, a high dielectric effect, high conductivity, and reasonable reflectivity in the visible region under metal alloying. The calculated absorption coefficients indicate that the absorption edge mainly shifted (red-shift) towards the lower energy region in the event of alloying, and a clear peak was observed in the visible region. The creation of an intermediate state (dopant level) in the band structure of the alloying samples allows excited photoelectrons to transfer from the valence band to the conduction band. The alloying materials exhibit a highly ductile nature and are mechanically stable as pristine samples. The alloying effects seen in the present investigation suggest that Mn-alloyed CsSnBr₃ is remarkable, showing appropriate characteristics for use in solar cell devices and for other optoelectronic applications in comparison with other lead-free (toxin-free) perovskite materials.

Nowadays, lead-free metal halide perovskite materials have become more popular in the field of commercialization owing to their potential use in solar cells and for other optoelectronic applications.     

Alteration of the central core of a DF-PCIC chromophore to boost the photovoltaic applications of non-fullerene acceptor based organic solar cells

Modifying the central core is a very efficient strategy to boost the performance of non-fullerene acceptors. Herein five non-fullerene acceptors (M1–M5) of A–D–D′–D–A type were designed by substituting the central acceptor core of the reference (A–D–A′–D–A type) with different strongly conjugated and electron donating cores (D'') to enhance the photovoltaic attributes of OSCs. All the newly designed molecules were analyzed through quantum mechanical simulations to compute their optoelectronic, geometrical, and photovoltaic parameters and compare them to the reference. Theoretical simulations of all the structures were carried out through different functionals with a carefully selected 6-31G(d,p) basis set. Absorption spectra, charge mobility, dynamics of excitons, distribution pattern of electron density, reorganization energies, transition density matrices, natural transition orbitals and frontier molecular orbitals, respectively of the studied molecules were evaluated at this functional. Among the designed structures in various functionals, M5 showed the most improved optoelectronic properties, such as the lowest band gap (2.18 e V), highest maximum absorption (720 nm), and lowest binding energy (0.46 eV) in chloroform solvent. Although the highest photovoltaic aptitude as acceptors at the interface was perceived to be of M1, its highest band gap and lowest absorption maxima lowered its candidature as the best molecule. Thus, M5 with its lowest electron reorganization energy, highest light harvesting efficiency, and promising open-circuit voltage (better than the reference), amongst other favorable features, outperformed the others. Conclusively, each evaluated property commends the aptness of designed structures to augment the power conversion efficiency (PCE) in the field of optoelectronics in one way or another, which reveals that a central un-fused core having an electron-donating capability with terminal groups being significantly electron withdrawing, is an effective configuration for the attainment of promising optoelectronic parameters, and thus the proposed molecules could be utilized in future NFAs.

Modifying the central core is a very efficient strategy to boost the performance of non-fullerene acceptors.     

Ultra-violet to visible band gap engineering of cubic halide KCaCl3 perovskite under pressure for optoelectronic applications: insights from DFT

Density functional theory is utilized to explore the effects of hydrostatic pressure on the structural, electrical, optical, and mechanical properties of cubic halide perovskite KCaCl₃ throughout this study. The interatomic distance is decreased due to the pressure effect, which dramatically lowers the lattice constant and unit cell volume of this perovskite. Under pressure, the electronic band gap shrinks from the ultra-violet to visible region, making it easier to move electrons from the valence band to the conduction band, which improves optoelectronic device efficiency. Furthermore, the band gap nature is switched from indirect to direct around 40 GPa pressure, which is more suitable for a material to be exploited in optoelectronic applications. The use of KCaCl₃ in microelectronics, integrated circuits, QLED, OLED, solar cells, waveguides, solar heat reduction materials, and surgical instruments has been suggested through deep optical analysis. The use of external hydrostatic pressure has a considerable impact on the mechanical properties of this material, making it more ductile and anisotropic.

The electronic band gap shrinks from the UV to visible region of cubic halide KCaCl₃ perovskite under pressure, making it easier to move electrons from the VB to the CB, which improves optoelectronic device efficiency.     

Computational study of linear carbon chain based organic dyes for dye sensitized solar cells

Spectroscopic, electronic and electron injection properties of a new class of linear carbon chain (LCC) based organic dyes have been investigated, by means of density functional theory (DFT) and time-dependent density functional theory (TDDFT), for application in dye-sensitized solar cells (DSSCs). The photophysical properties of LCC-based dyes are tuned by changing the length of the linear carbon chain; UV/VIS absorption is red-shifted with increasing LCC length whereas oscillator strength and electron injection properties are reduced. Excellent nonlinear optical properties are predicted in particular for PY-N4 and PY-S4 dyes in the planar conformation. Results indicate that a LCC-bridge produces better results compared to benzene and thiophene bridges. Simulations of I⁻-Dye@(TiO₂)₁₄ and Dye@(TiO₂)₁₄ anatase complexes indicate that designed dyes inject electrons efficiently into the TiO₂ surface and can be regenerated by electron transfer from the electrolyte. Superior properties in terms of efficiency are shown by compounds with a pyrrole ring as the donor group and PY-3N is expected to be a promising candidate for applications, however all the investigated dyes could provide a good performance in solar energy conversion. Our study demonstrates that computational design can provide a significant contribution to experimental work; we expect this study will contribute to future developments to identify new and highly efficient sensitizers.

Photophysical properties of a new family of LCC-based dyes for applications in DSSC are predicted. Superior properties are shown by compounds with pyrrole ring as donor group, PY-3N is expected to be a promising candidate for applications.     

Numbers of cyanovinyl substitutes and their effect on phenothiazine based organic dyes for dye-sensitized solar cells

A series of phenothiazine based dyes (OMS1–3), comprising different conjugation lengths and numbers of electron deficient (cyanovinyl) moieties with cyanoacrylic acid as an anchor, have been synthesized. The dyes display broad UV-visible absorption, from 389 nm to 484 nm. The higher molar extinction coefficient and longer absorption peak are achieved as the conjugation length and numbers of electron deficient units increase. The cell performance based on these dyes exhibits efficiencies ranging from 0.68–4.00%, compared to a standard N719-based device (PCE = 7.49%) fabricated under similar conditions. Although the OMS3 dye has two electron deficient units between phenothiazine units, an insignificant electron trapping effect is observed. From the results, the OMS3 based cell exhibits the highest short circuit current (J_SC) at 8.72 mA cm⁻² and the highest open-circuit voltage (V_OC) at 0.66 V, together with the best cell performance at 4.00%.

Phenothiazine based dyes (OMS1–3), comprising different conjugation lengths, numbers of electron deficient (cyanovinyl) moieties have been synthesized. OMS3 dye has two cyanovinyl moieties between phenothiazine core exhibits the best cell performance at 4.00%.     

The role of cobalt doping in tuning the band gap,surface morphology and third-order optical nonlinearities of ZnO nanostructures for NLO device applications

The work presented here reported the effect of doping cobalt (Co) in ZnO thin films. The thin films were prepared using the spray pyrolysis technique with 0, 1, 5 and 10 wt% cobalt doping concentrations to study the morphological, optical and third-order nonlinear optical (NLO) properties. X-ray diffraction revealed the crystalline nature of the prepared thin films, and the crystallite size was found to increase with the concentration of doped Co. The morphology and surface topography of the films were largely influenced by doping, as indicated by field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM). With an increase in Co-doping concentration, the direct optical energy band-gap value increased from 3.21 eV to 3.45 eV for pure to 10 at% of Co concentrations respectively. To study the NLO properties of the prepared thin films, the Z-scan technique was adopted; it was observed that with an increase in the doping concentration from 0 to 10 wt%, the nonlinear absorption coefficient (β) was enhanced from 4.68 × 10⁻³ to 9.92 × 10⁻³ (cm W⁻¹), the nonlinear refractive index (n₂) increased from 1.37 × 10⁻⁸ to 2.90 × 10⁻⁸ (cm² W⁻¹), and the third-order NLO susceptibility (χ⁽³⁾) values also increased from 0.79 × 10⁻⁶ to 1.88 × 10⁻⁶ (esu). At the experimental wavelength, the optical limiting (OL) features of the prepared films were explored, and the limiting thresholds were calculated. The encouraging results of the NLO studies suggest that the Co : ZnO thin film is a capable and promising material for nonlinear optical devices and optical power limiting applications.

The work presented here reported the effect of doping cobalt (Co) in ZnO thin films.     

Design and controllable synthesis of ethylenediamine-grafted ion imprinted magnetic polymers for highly selective adsorption to perchlorate

A series of ethylenediamine-grafted ion imprinted magnetic polymers (Fe₃O₄@IIPs) were synthesized via ultrasonic assisted suspension polymerization with perchlorate (ClO₄⁻) as an ion imprinting template. They were characterized by XRD, EA, VSM, FTIR and XPS and applied as adsorbents for ClO₄⁻ removal from aqueous solutions. The effects of the usage amount of crosslinking agent divinylbenzene (DVB) used for preparation on the structure and the adsorptive performance of Fe₃O₄@IIPs were investigated. The results show that the Fe₃O₄@IIPs have an average size of 200–800 nm, which increases with the increase of the amount of DVB from 0 to 2 g during the preparation process. The saturation magnetization intensities are at 35.6–42.8 emu g⁻¹, which decrease with the increase of the usage amount of DVB. The addition of DVB is beneficial to the formation and stability of the ion imprinted cavity of Fe₃O₄@IIPs. The effects of the solution pH value, initial concentration of ClO₄⁻, and adsorption time on the adsorption properties of ClO₄⁻ in aqueous solutions were investigated. The results show that the adsorption capability is affected significantly by solution pH value and reaches the maximum adsorption capacity at pH 3.0. The best adsorption capacity and selectivity of Fe₃O₄@IIPs to ClO₄⁻ can be obtained when the usage amount of DVB is at 0.5 g for synthesis. The adsorption mechanisms might include both ion exchange and electrostatic interaction. The isothermal adsorption curves mainly obey the Langmuir model with the theoretical maximum adsorption capacities (q_m,c) at 76.92–111.1 mg g⁻¹ and the experimental maximum adsorption capacities (q_m,e) at 75.7–108.9 mg g⁻¹, respectively, which are much higher than those of the non-ion imprinted material (Fe₃O₄@NIP, q_m,NIP: q_m,c at 60.61 mg g⁻¹ and q_m,e at 59.0 mg g⁻¹). The adsorption kinetic studies show that the adsorption processes reach equilibrium within 10 min and the kinetic data are well fitted to the pseudo-second-order model. There is almost no interference by the coexisting anions for the selective adsorption of ClO₄⁻, with a imprinting factor (α) at 1.8, and selectivity factor (β) larger than 5.9 for several kinds of common co-existing anions, respectively. The Fe₃O₄@IIPs are ideal candidates for removal of ClO₄⁻ from aqueous solution.

A series of ethylenediamine-grafted ion imprinted magnetic polymers (Fe₃O₄@IIPs) were synthesized via ultrasonic assisted suspension polymerization with perchlorate (ClO₄⁻) as an ion imprinting template.     

Indirect to direct band gap transition through order to disorder transformation of Cs2AgBiBr6via creating antisite defects for optoelectronic and photovoltaic applications

Non-toxic lead free inorganic metal halide cubic double perovskites have drawn a lot of attention for their commercial use in optoelectronic and photovoltaic devices. Here we have explored the structural, electronic, optical and mechanical properties of lead-free non-toxic inorganic metallic halide cubic double perovskite Cs₂AgBiBr₆ in its ordered and disordered forms using first-principles density functional theory (DFT) to verify the suitability of its photovoltaic and optoelectronic applications. The indirect bandgap of Cs₂AgBiBr₆ is tuned to a direct bandgap by changing it from an ordered to disordered system following the disordering of Ag⁺/Bi³⁺ cations by creating antisite defects in its sublattice. In the disordered Cs₂AgBiBr₆, the Bi 6p orbital modifies the conduction band significantly and leads to a shift the conduction band minimum (CBM) from L to Γ-point. Consequently, the system changes from indirect to direct band gap material. At the same time the band gap reduces significantly. The band gap of Cs₂AgBiBr₆ decreases from 2.04 eV to 1.59 eV. The absorption edge towards the lower energy region and strong optical absorption in the visible to the UV region indicate that the disordered direct band gap material Cs₂AgBiBr₆ is appropriate for use in solar cells and optoelectronic and energy harvesting devices. Dielectric function, reflectivity and refractive index of disordered direct band gap material Cs₂AgBiBr₆ is favorable for its optoelectronic and photovoltaic applications. However, its stability and ductility favor its thin film fabrication. The creation of antisite defects in the sublattice of double perovskites opens a new avenue for the design of photovoltaic and optoelectronic materials.

The bandgap of Cs₂AgBiBr₆ is tuned to a direct bandgap by the disordering of Ag⁺/Bi³⁺ cations, creating antisite defects. The creation of antisite defects in the sublattice of double perovskites opens a new avenue for the design of photovoltaic and optoelectronic materials.     

Recent developments in the synthesis of regioregular thiophene-based conjugated polymers for electronic and optoelectronic applications using nickel and palladium-based catalytic systems

Thiophene-based conjugated polymers hold an irreplaceable position among the continuously growing plethora of conjugated polymers due to their exceptional optical and conductive properties, which has made them a centre of attention for the past few decades and many researchers have contributed tremendously by designing novel strategies to reach more efficient materials for electronic applications. This review aims to highlight the recent (2012–2019) findings in design and synthesis of novel thiophene-based conjugated polymers for optical and electronic devices using organometallic polycondensation strategies. Nickel- and palladium-based protocols are the main focus of this account. Among them nickel-catalyzed Kumada catalyst-transfer polycondensation, nickel-catalyzed deprotonative cross-coupling polycondensation, palladium-catalyzed Suzuki–Miyaura and Migita–Kosugi–Stille couplings are the most popular strategies known so far for the synthesis of functionalized regioregular polythiophenes exhibiting fascinating properties such as electronic, optoelectronic, chemosensitivity, liquid crystallinity and high conductivity. This account also presents a brief overview of direct arylation polymerization (DArP) protocol that has shown a great potential to lessen the drawbacks of conventional polymerization techniques. DArP is a cost-effective and green method as it circumvents the need for the synthesis of arylene diboronic acid/diboronic ester and distannyl arylenes using toxic precursors. DArP also puts off the need to preactivate the C–H bonds, hence, presenting a facile route to synthesize polymers with controlled molecular weight, low polydispersity index, high regioregularity and tunable optoelectronic properties using palladium-based catalytic systems.

Thiophene-based conjugated polymers are important conjugated polymers due to their exceptional optical and conductive properties, over the past few decades many researchers have designed novel strategies to reach more efficient materials for electronic applications.     

Rational design of near-infrared dyes based on boron dipyrromethene derivatives for application in organic solar cells

With the aim to further improve the light-absorption efficiency of organic solar cells (OSCs), we have designed a series of novel pyrrolopyrrole boron dipyrromethene (BODIPY) derivatives by replacing the sulfur atom and introducing different fused aromatic heterocycle end-caps. The optical, electronic, and charge transporting properties of the designed molecules have been systematically investigated by applying density functional theory (DFT) and time-dependent DFT (TD-DFT) methodologies. The calculated the frontier molecular orbital (FMO) energies and spectral properties showed that the designed molecules exhibit narrower band gaps and strong absorption in the red/near-infrared (NIR) region, which led to the higher light-absorbing efficiency. Furthermore, the calculated reorganization energies show that the designed molecules are expected to be promising candidates for hole and/or electron transport materials. The results reveal that the designed molecules can serve as high-efficiency red/NIR-active donor materials as well as hole and/or electron transport materials in OSC applications.

A series of novel pyrrolopyrrole boron dipyrromethene derivatives have been designed as high-efficiency red/near-infrared-active donor materials and charge transport materials in OSC applications.     

聚合物基因载体的设计与优化

目的:随着基因治疗研究的不断深入,选择更安全和更有效的基因转移载体已成为基因治疗成功的关键。为此本文就聚合物基因载体的设计与优化进行综述。资料来源:应用计算机检索PUBMED1990-01/2005-12期间的相关文章,检索词为“genetherapy,non-viralvectors,cationicpolymer/DNAcomplex”,并限定文章语言种类为English。同时计算机检索万方中国全文期刊数据库1990-01/2005-12期间的相关文章,检索词为“基因治疗,非病毒载体,阳离子聚合物/基因复合物”,并限定文章语言种类为中文。资料选择:对资料进行初审,并查看每篇文献后的引文。纳入标准:文章所述内容应与聚合物基因载体的设计及优化研究相关。排除标准:重复研究或Meta分析类文章。资料提炼:共收集到60篇相关文献,28篇文献符合纳入标准,排除的32篇文献为内容陈旧或重复。符合纳入标准的28篇文献中,26篇涉及基因转移体系,2篇涉及Polyplex转染过程中的问题以及聚合物载体的优化。资料综合:本文首先简要介绍了两类基因转移体系:病毒载体转移体系和非病毒转移体系,以及非病毒转移体系的分类。然后详细介绍了聚合物基因载体的发展现状,列举了几类近年设计的新型阳离子聚合物载体,指出其优点和不足、结构与功能的关系,以及优化的方法。最后介绍了以阳离子聚合物作为基因载体进行细胞转染的机制,并探讨了如何对聚合物基因载体进行优化。结论:在非病毒转移体系中,聚合物基因载体由于其设计灵活及具有很好的生物相容性等优点而在人类基因治疗中具有很大的潜力。然而低转染效率限制了其在临床上的应用。随着对聚合物基因转移机制的进一步理解,聚合物基因转移体系将成为人类基因治疗的有力工具。     

聚合物基因载体的设计与优化

目的：随着基因治疗研究的不断深入，选择更安全和更有效的基因转移载体已成为基因治疗成功的关键。为此本文就聚合物基因载体的设计与优化进行综述。 资料来源：应用计算机检索PUBMED1990—01／2005-12期间的相关文章，检索词为“gene therapy，non-viral vectors，cationic polymer／DNA complex”，并限定文章语言种类为English。同时计算机检索万方中国全文期刊数据库1990～01／2005—12期间的相关文章，检索词为“基因治疗，非病毒载体，阳离子聚合物／基因复合物”，并限定文章语言种类为中文。 资料选择：对资料进行初审，并查看每篇文献后的引文。纳入标准：文章所述内容应与聚合物基因载体的设计及优化研究相关。排除标准：重复研究或Meta分析类文章。 资料提炼：共收集到60篇相关文献，28篇文献符合纳入标准，排除的32篇文献为内容陈旧或重复。符合纳入标准的28篇文献中，26篇涉及基因转移体系，2篇涉及Polyplex转染过程中的问题以及聚合物载体的优化。 资料综合：本文首先简要介绍了两类基因转移体系：病毒载体转移体系和非病毒转移体系，以及非病毒转移体系的分类。然后详细介绍了聚合物基因载体的发展现状，列举了几类近年设计的新型阳离子聚合物载体，指出其优点和不足、结构与功能的关系，以及优化的方法。最后介绍了以阳离子聚合物作为基因载体进行细胞转染的机制，并探讨了如何对聚合物基因载体进行优化。 结论：在非病毒转移体系中，聚合物基因载体由于其设计灵活及具有很好的生物相容性等优点而在人类基因治疗中具有很大的潜力。然而低转染效率限制了其在临床上的应用。随着对聚合物基因转移机制的进一步理解，聚合物基因转移体系将成为人类基因治疗的有力工具。