Thermal stability assessment of a new energetic Ca(II) compound with ZTO ligand by DSC and ARC

Journal of Thermal Analysis and Calorimetry - A new energetic Ca(H2O)6·(HZTO·2H2O)2 was crystallized in the monoclinic space group C2/c, and its thermal characteristics and kinetics were...     

In-situ surface-enhanced Raman scattering and FT-Raman spectroscopy of black prints

The black inkjet and laser prints were analysed with regard to application in forensic analysis of questioned documents. The purpose of this work was to study spectral properties and compare the suitability of surface-enhanced Raman scattering (SERS) with Fourier transform Raman spectra of prints. This work aimed to find optimal surface-enhanced Raman spectroscopic approach for the future analysis of documents using statistical methods. In this work, we analysed eight prints of four laser and four inkjet devices. The samples were measured using two dispersive Raman devices; (DXR Raman microscope with excitation line 532 nm, Foram 685-2 spectrometer − 685 nm) and FT-Raman device (Bruker Spectrometer MultiRAM with excitation line 1064 nm). The silver nanoparticles (AgNPs) colloid for SERS experiment were synthesised and checked by UV–vis spectroscopy and scanning electron microscopy (SEM). The remarkable differences caused by centrifugation of silver colloid were observed just in the SEM images. The main contribution of this paper is to propose the novel approach achieving sufficient SERS signal intensity of black prints using the both, laser and inkjet printers. Moreover, this method is based on just a single metal colloid, and the analysis can be performed in-situ, i.e. directly on the printed sample surface. We consider the SERS could by highly promising and universal for applications in the forensic analysis of printed documents with the combination of statistical method when conventional methods are not effective.     

Infrared spectroscopic studies on crystalline phase transition of PVDF and PVDF/hyperbranched polyester blend ultrathin films

In this study, as cast (AC, at 30 °C) and annealed (AN, at 130 °C, 3 h) samples of polyvinylidene fluoride (PVDF) and PVDF/hyperbranched polyester (HBP) (90/10) blend ultrathin films were subjected to heating-cooling (30 → 210 → 30 °C) cycle, and studied for their changes in crystalline phase transition behavior using in-situ Fourier transform infrared-transmission spectroscopy (FTIR-TS) and grazing incident reflection absorption spectroscopy (FTIR-GIRAS) techniques. Factor analysis was employed to extract the pure crystalline and amorphous spectra as well as the percentage content of ferroelectric crystallinity for both the samples. Irrespective of the thermal treatment (AC or AN) and spectral measurement (FTIR-TS or GIRAS) techniques, neat PVDF sample exhibited irreversible phase transitions during heating-cooling cycle associated with the transformation from ordered β-crystalline (1276 cm⁻¹) into disordered amorphous (1234 cm⁻¹) form. Interestingly, annealed PVDF/HBP blend sample measured using FTIR-GIRAS exhibited reversible crystalline phase transition behavior similar to a ‘dipole memory effect’ even after heating to 210 °C (>T_m) and then cooled to 30 °C. Compared to neat PVDF, higher ferroelectric crystallinity and reversible phase transition in PVDF/HBP blend may be attributed to (i) the existence of H-bonding between HBP (CO and OH groups) and PVDF (CH₂ and CF₂) and/or (ii) HBP acting as a nanoparticle in PVDF matrix.     

Synergistic effect of fluorination on both donor and acceptor materials for high performance non-fullerene polymer solar cells with 13.5% efficiency

A high performance polymer solar cells(PSCs) based on polymer donor PM6 containing fluorinated thienyl benzodithiophene unit and n-type organic semiconductor acceptor IT-4 F containing fluorinated end-groups were developed. In addition to complementary absorption spectra(300–830 nm) with IT-4 F, the PM6 also has a deep HOMO(the highest occupied molecular) level(-5.50 e V), which will lower the open-circuit voltage(V_(oc)) sacrifice and reduce the E_(loss) of the IT-4 F-based PSCs. Moreover, the strong crystallinity of PM6 is beneficial to form favorable blend morphology and hence to suppress recombination. As a result, in comparison with the PSCs based on a non-fluorinated D/A pair of PBDB-T:ITIC with a medium PCE of 11.2%, the PM6:IT-4 Fbased PSCs yielded an impressive PCE of 13.5% due to the synergistic effect of fluorination on both donor and acceptor, which is among the highest values recorded in the literatures for PSCs to date. Furthermore, a PCE of 12.2% was remained with the active layer thickness of up to 285 nm and a high PCE of 11.4% was also obtained with a large device area of 1 cm~2. In addition, the devices also showed good storage, thermal and illumination stabilities with respect to the efficiency. These results indicate that fluorination is an effective strategy to improve the photovoltaic performance of materials, as well as the both fluorinated donor and acceptor pair-PM6:IT-4 F is an ideal candidate for the large scale roll-to-roll production of efficient PSCs in the future.     

吡啶基团的对称性和离子化对分子双光子吸收截面的影响

采用超快速激光光谱方法研究了含吡啶基团的四个联苯乙烯衍生物及两个杂环分子(A: 4,4’-二(2-(4-吡啶基)乙烯)联苯; B: 4,4’-二(2-(2-吡啶基)乙烯)联苯; C: 1-甲基-4-(2-(4’-(2-(4-吡啶基)乙烯基)-4-联苯)乙烯基)吡啶碘盐; D: 1-甲基-2-(2-(4’-(2-(2-吡啶基)乙烯基)-4-联苯)乙烯基)吡啶碘盐; E: 4-(2-(9-丁基-9氢-3-咔唑)乙烯基)-1-甲基吡啶碘盐; F: 4-(2-(9-丁基-9氢-3-咔唑)乙烯基)-1-甲基喹啉碘盐)的结构-性能关系. 实验结果显示双光子吸收截面最大的是分子E, 高达617.3 GM; 最小的是分子B, 为19.3 GM(1 GM=10^-50 cm⁴·s·photon^-1). 实验研究结果表明, 分子中吡啶基团的对称性及其离子化对分子双光子吸收截面起很重要的作用; 进一步用理论计算证实了以上实验结论并对其机制进行了分析讨论.     

Sandwich-like mesoporous graphene@magnetite@carbon nanosheets for high-rate lithium ion batteries

Sandwich-like mesoporous GS@Fe₃O₄@C nanosheets with a 2D nanoarchitecture have been successfully synthesized by one-step solvothermal treatment. Such type of 2D nanoarchitecture is made up of a number of Fe₃O₄ nanoparticles uniformly grown on a graphene sheet and an even amorphous carbon layer covering on their surface. The Li-cycling properties of GS@Fe₃O₄@C nanosheets have been evaluated by galvanostatic discharge-charge cycling and impedance spectroscopy. Results indicate that the GS@Fe₃O₄@C nanosheets with about 5 wt % of graphene content provides a very high discharge capacity of 913.2 mAh g⁻¹ at a current densities of 200 mA g⁻¹ after 100 cycles and reveals a stable discharge capacity of 483.2 mAh g⁻¹ at a rate of 1600 mA g⁻¹.     

Improving piezoelectric performance of lead-free polymer composites with high aspect ratio BaTiO3 nanowires

Flexible and lead-free piezoelectric nanocomposites were synthesized with BaTiO₃ nanowires (filler) and poly(vinylidene fluoride) (PVDF) (matrix), and the piezoelectric performances of the composites were systematically studied by varying the aspect ratio (AR) and volume fraction of the nanowire and poling time. BaTiO₃ nanowires with AR of 18 were synthesized and incorporated into PVDF to improve the piezoelectric performance of the composites. It was found that high AR significantly increased the dielectric constant up to 64, which is over 800% improvement compared to those from the composites containing spheroid shape BaTiO₃ nanoparticles. In addition, the dielectric constant and piezoelectric coefficient were also enhanced by increasing the concentration of BaTiO₃ nanowires. The piezoelectric coefficient with 50-vol% BaTiO₃ nanowires embedded in PVDF displayed 61 pC/N, which is much higher than nanocomposites with spheroid shape BaTiO₃ nanoparticles as well as comparable to, if not better, other nanoparticle-filled polymer composites. Our results suggest that it is possible to fabricate nanocomposites with proper mechanical and piezoelectric properties by utilizing proper AR fillers.     

Research on application of polynomial fitting technique in rotary kiln infrared temperature measurement system

Aiming at the linear temperature compensation algorithm’s disadvantage of temperature measurement error in rotary kiln infrared scanning temperature measurement process, this paper proposes a precise nonlinear cubic polynomial fitting temperature compensation algorithm. The proposed algorithm compensates the temperature values of scanning points on rotary kiln surface by following steps: Calculating temperature difference between the real temperature value of rotary kiln and temperature value measured by infrared scanning temperature measurement system; Fitting the temperature difference data with cubic polynomial; Using the obtained function to compensate temperature. Experimental result shows that compared with the usual linear temperature compensation algorithm, the accuracy of proposed algorithm has raised about 2.25 times when cubic polynomial is used.     

Nanocrystal growth of single-phase Si1−xGex alloys

We present the formation of single-phase Si_1−xGe_x (x=0.2, 0.4, 0.6, and 0.8) alloy nanocrystals dispersed in a SiO₂ matrix. The studied samples were prepared by co-sputtering with excess Si_1−xGe_x in SiO₂ of approximately 33 at%. Upon heat treatment, crystallization of Si_1−xGe_x alloys was examined by using X-ray diffraction and high-resolution transmission electron microscopy measurements. Single structure of face-centered cubic nanocrystals in a space group Fd-3m was concluded. The average nanocrystal size (from 2 nm to 10 nm) and the lattice constant a of the single-phase Si_1−xGe_x nanocrystals were found to increase with the Ge composition parameter x. Density functional theory-generalized gradient approximation calculation showed the replacement of Ge into the Si sites and vice versa.     

Effect of growth time of hydrothermally grown cobalt hydroxide carbonate on its supercapacitive performance

We present the time-dependent synthesis of cobalt hydroxide carbonate nanorods by hydrothermal method with a systematic increase of different parameters such as specific surface area and specific capacitance as a function of different synthesis time. Morphological characterization of the cobalt hydroxide carbonate nanorods were carried out by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results show that variation of the time of reaction plays a crucial role in the transformation of samples’ morphology. Cobalt hydroxide carbonate nanorods synthesized with 12 h reaction time, which is the reaction just before the materials transforms into cobalt oxide under the same synthesis conditions exhibited the highest specific capacitance of 466 F g⁻¹ at a current density of 1 A g⁻¹ in 6 M KOH electrolyte and also showed excellent stability with ∼99% capacitance retention after 2000 cycles at a current density of 10 A g⁻¹. Based on the above results, the cobalt hydroxide carbonate nanorods show a considerable potential as electrodes materials for supercapacitor applications.