2,7-Carbazole and thieno[3,4-c]pyrrole-4,6-dione based copolymers with deep highest occupied molecular orbital for photovoltaic cells

Three kinds of donor–acceptor (D–A) type photovoltaic polymers were synthesized based on 2,7-carbazole and thieno[3,4-c]pyrrole-4,6-dione (TPD). The conjugation of weakly electron (e)-donating 2,7-carbazole and strongly e-accepting TPD moieties yielded a deep highest occupied molecular orbital (HOMO) and its energy level was fine-controlled to be −5.72, −5.67 and −5.57 eV through the incorporation of thiophene (T), thieno[3,2-b]thiophene (TT) and bithiophene (BT) as a π-bridge. Polymer:[6,6]-phenyl-C₇₁ butyric acid methyl ester (PC₇₁BM) based bulk heterojunction solar cells exhibited a high open-circuit voltage (V_OC) in the range, 0.86–0.94 V, suggesting good agreement with the measured HOMO levels. Despite the high V_OC, the thiophene (or thienothiophene)-containing PCTTPD (or PCTTTPD) showed poor power conversion efficiency (PCE, 1.14 and 1.25%) because of the very low short-circuit current density (J_SC). The voltage-dependent photocurrent and photoluminescence quenching measurements suggested that hole transfer from PC₇₁BM to polymer depends strongly on the HOMO level of the polymer. The PCTTPD and PCTTTPD devices suffered from electron–hole recombination at the polymer/PC₇₁BM interfaces because of the insufficient energy offset between the HOMOs of the polymer and PC₇₁BM. The PCBTTPD:PC₇₁BM device showed the best PCE of 3.42% with a V_OC and J_SC of 0.86 V and 7.79 mA cm⁻², respectively. These results show that photovoltaic polymers should be designed carefully to have a deep HOMO level for a high V_OC and sufficient energy offset for ensuring efficient hole transfer from PC₇₁BM to the polymer.     

Synthesis and mesomorphism of 2,5-bis(3,4-bis(n-alkoxy)phenyl)thiazolo[5,4-d]thiazole tetracatenar liquid crystals

A series of new symmetrical 2,5-bis(3,4-bis(n-alkoxy)phenyl)thiazolo[5,4-d]thiazoles (TTn) prepared via condensation of dithiooxamide with six different 3,4-di-n-alkoxybenzaldehydes were characterized by ¹H NMR, FTIR, UV-Vis, and photoluminescence spectroscopy. Moreover, one compound lack of aliphatic chains, i.e., 2,5-diphenylthiazolo[5,4-d]thiazole (TT) was synthesized and characterized. The investigated TTn compounds emitted blue light. The effect of length of n-alkoxy (i.e., OC _n H_{2 n +1}, n?=?8, 10, 12, 14, 16, and 18) peripheral groups on thermal and mesomorphic behavior was investigated by means of differential scanning calorimetry, polarizing optical microscopy, and X-ray diffraction. Variable heating and cooling rates were used to study the liquid-crystalline properties of TTn. All compounds exhibited liquid-crystalline properties which self-organize into one or two smectic mesophases (SmB and SmE).     

1,4-dialkoxy-2,5-bis[2-(thien-2-yl)ethenyl]benzenes as promising materials for laser optical limiters

A new promising organic chromophore for two-photon laser absorption at 1064 nm with 1,4-diethoxy-2,5-bis[2-(5-methylthien-2-yl)ethenyl]benzene (A-C) was synthesized. We have performed evaluations of the two-photon absorption for these chromophores incorporated into the polymer matrices. Following the obtained quantum chemical data, we have performed quantum chemical simulations of the third-order susceptibilities for the investigated chrompophore incorporated into the PMMA matrices. The calculations were done within the three-level model. We have established that the experimentally calculated data are a bit less than theoretically calculated; however, the general tendency of their changes shows a good coincidence. The maximally achieved value of the TPA is equal to about 59.2 cm/GW at wavelength 1064 nm, which, together with their high photothermal stabilities, make them good candidates for optical-limiting processes.     

TFTTP作为阴极缓冲层提高有机薄膜太阳能电池的内建电场和载流子收集效率

采用一种新型的电子传输材料TFTTP作为阴极缓冲层提高基于SubPc/C₆₀异质结的有机薄膜太阳能电池的性能. 通过在有机活性层和金属电极之间加入TFTTP界面层,器件的能量转换效率提高了约30%. 系统研究了器件的二极管特性、光电流特性以及内部的光场分布情况,结果表明,TFTTP阴极缓冲层的引入可以有效地提高器件的内建电场,进而增加电荷转移激子的分离效率. 通过使用TFTTP作为阴极缓冲层,在C₆₀/金属界面形成良好的欧姆接触,降低了界面接触电阻,有利于自由载流子的收集.     

(E,E)-1,4-双{2''-[5''-(B,B-二甲基苯硼)-2-噻吩基]乙烯基}-苯分子双光子吸收特性的理论研究

在密度泛函水平上,利用响应函数方法,研究了分子的单光子和双光子吸收特性.计算出了该分子在低能量范围内的最大双光子吸收截面为6.47×10-47cm4s/photon,与实验符合的较好.研究结果表明该分子具有较强的双光子吸收特性,是较好的双光子吸收材料.     

Multistep deposition of Cu2Si(S,Se)3 and Cu2ZnSiSe4high band gap absorber materials for thin film solar cells

Cu₂ZnSi(S,Se)₄ and Cu₂Si(S,Se)₃ are potential materials to obtain cost effective high band gap absorbers for tandem thin film solar cell devices. A method to synthesize Cu₂SiS₃, Cu₂SiSe₃and Cu₂ZnSiSe₄thin film absorbers is proposed. This method is based on a multistep process, using sequential deposition and annealing processes. X‐ray diffraction analysis performed on the final thin films have confirmed the presence of the Cu₂Si(S,Se)₃ and Cu₂ZnSiSe₄phases. Scanning electron microscopy images revealed the formation of polycrystalline layers with grains size up to 1 µm. The band gap of the ternary Cu₂SiSe₃ and Cu₂SiS₃, and quaternary Cu₂ZnSiSe₄ based thin films as determined from optical and photoluminescence measurements are found to be close to their theoretical values. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

PEO electrolytes containing dioctyl phthalate (DOP) for dye-sensitized nanocrystalline TiO2 solar cells

In this paper, we aim to prepare polymer electrolytes consisting of NaI and I₂ dissolved in poly(ethylene oxide) (PEO) and dioctyl phthalate (DOP) as an additive and apply the electrolytes to dye-sensitized solar cells (DSSC). Upon the incorporation of salt, the phthalic-stretching C=O bands of DOP in Fourier transform infrared spectra shifted to a lower wave number (Δf = 93 cm⁻¹), confirming the unusual strong complex formation between sodium ions and phthalic oxygen. Coordinative interactions and structural changes of PEO/NaI/I₂/DOP electrolytes have also been characterized by wide angle X-ray scattering, presenting an almost amorphous structure of the polymer electrolytes. The ionic conductivity of the polymer electrolytes reached ∼10^–4 S/cm at room temperature at the mole ratio of [EO]:[Na]:[DOP] = 10:1:0.5, as determined by the four-probe method. DSSC using the polymer electrolytes and conductive indium tin oxide glasses exhibited 2.9% of overall energy conversion efficiency (=P _max/P _in × 100) at one sun condition (100 mW/cm²). The good interfacial contact between the electrolytes and the dye-attached nanocrystalline TiO₂ layers were verified by field-emission scanning electron microscopy.     

Growth mechanism of thermally processed Cu(In,Ga)S2 precursors for printed Cu(In,Ga)(S,Se)2 solar cells

We investigate a process used for the selenisation of particle‐based precursors to prepare low‐cost Cu(In,Ga)(S,Se)₂ (CIGS) solar cells. It is suitable for high throughput with a short optimum selenisation duration of 3–5 min and employs a rapid thermal annealing system with elemental selenium vapour. Homogeneous crack‐free Cu(In,Ga)S₂ precursor films of up to 1 µm are obtained via doctor blading. The high selenium vapour pressure in the selenisation reaction chamber results in the formation of a compact Cu(In,Ga)(S,Se)₂ layer on top of a carbon‐rich underlayer. In order to investigate the phase development in the film, the selenisation process was interrupted at different stages and the samples were monitored via XRD and surface‐sensitive Raman measurements. We find the formation of a polycrystalline Cu(In,Ga)Se₂ phase already after 1 s at the target temperature of 550 °C. Furthermore, the effect of initial precursor thickness on solar cell parameters is discussed. Complete solar cells are prepared by conventional methods, leading to conversion efficiencies well above 8%. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Efficient carbon-doped nanostructured TiO<Subscript>2</Subscript> (anatase) film for photoelectrochemical solar cells

In this paper, we have demonstrated that carbon-doped nanostructured TiO₂ (CD ns-TiO₂) films could be prepared simply and cheaply with oxalic acid and tetrabutylammonium bromide (Bu₄N·Br) as the carbon sources. The surface morphology of the films was a multiple-porous network structure.The average size of nanoparticle was about 40 nm. Carbon doped into substitutional sites of TiO₂ has also proven to be indispensable for band-gap narrowing and photovoltaic effect. Carbon doping lowered the band gap of n-TiO₂ to 1.98, 1.64, and 1.26 eV. The CD ns-TiO₂ film was first used as photoanode for solar cells, exhibiting high photocurrent densities (l.34 mA/cm²) and yielding an overall conversion efficiency (η) of 4.42 %.     

Non-ionizing energy loss calculations for modeling electron-induced degradation of Cu(In,Ga)Se_2 thin-film solar cells

The lowest energies which make Cu,In,Ga,and Se atoms composing Cu(In,Ga)Se_2(CIGS) material displaced from their lattice sites are evaluated,respectively.The non-ionizing energy loss(NIEL) for electron in CIGS material is calculated analytically using the Mott differential cross section.The relation of the introduction rate(k) of the recombination centers to NIEL is modified,then the values of k at different electron energies are calculated.Degradation modeling of CIGS thin-film solar cells irradiated with various-energy electrons is performed according to the characterization of solar cells and the recombination centers.The validity of the modeling approach is verified by comparison with the experimental data.