- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Pusha??Pull Zinc Phthalocyanine Bearing Hexa-Tertiary Substituted Carbazolyl Donor Groups for Dye-Sensitized Solar Cells
摘要： An asymmetrical, push–pull phthalocyanine bearing bulky tert-butylcarbazolyl moieties as electron donor and carboxylic acid as anchoring group was synthetized and tested as a photosensitizer in dye-sensitized solar cells (DSSC). The new photosensitizer was characterized by 1H and 13C NMR, UV–Vis and mass spectrometry. The bulky tert-butylcarbazolyl moieties avoid the aggregation of the phthalocyanine dye. DFT studies indicate that the HOMO is delocalized throughout the π-electron system of the substituted phthalocyanine and the LUMO is located on the core of the molecule with a sizable electron density distribution on carboxyl groups. The new dye has been used as a photosensitizer in transparent and opaque dye-sensitized solar cells, which exhibit poor e?ciencies related to a low Jsc.
关键词： A3B,Zn(II) phthalocyanine,dye-sensitized solar cells,DSSC
更新于2025-09-23 15:21:01
-
4-Tert-butylpyridine-assisted low-cost and soluble copper phthalocyanine as dopant-free hole transport layer for efficient Pb- and Sn-based perovskite solar cells
摘要： The preparation of suitable hole transport material (HTM) is critical to the performance and stability of perovskite solar cells (PSCs) with low-cost. Herein, a mass producible and soluble copper phthalocyanine decorated with butoxy donor groups (CuPc-OBu) was designed as HTM and prepared by a facile two-step synthetic route. To generate high quality HTM film, 4-tert-butylpyridine (tBP) was doped into CuPc-OBu to prepare the film and then removed by annealing. Such a tBP-assisted strategy resulted in the best efficiency of the PSCs with lead trihalide perovskite up to 19.0% (small-area of 0.1 cm2) and 10.1% (the active area of 8.0 cm2 for the module device). And the best efficiency of the tin-based PSCs with CuPc-OBu reached to 6.9%. More importantly, the device with CuPc-OBu as HTM revealed the remarkably enhanced stability. This work provides a new strategy to improve the film-quality of free-doping HTMs and enhance the efficiency and stability of Pb- and Sn-based PSCs with low-cost.
关键词： copper phthalocyanine,hole transport material,perovskite solar cells
更新于2025-09-23 15:21:01
-
Assessing the Performance of Cobalt Phthalocyanine Nanoflakes as Molecular Catalysts for Li-Promoted Oxalate Formation in Li–CO <sub/>2</sub> –Oxalate Batteries
摘要： Removal of O2 molecules from the cathode environment in the Li-based battery has led to introduction of the Li?CO2 battery as the novel and promising source of energy storage. In spite of CO2 capture through the reversible reaction between Li atoms and CO2 molecules at the cathode, the performance of the Li?CO2 battery is hampered by formation of the Li2CO3 insulating product in the discharge process and its di?cult decomposition in the charging process. Hereby, we explore the possible improvement of the performance of the Li?CO2 battery through replacement of Li2CO3 by Li2C2O4 as the discharge product. This is achieved by systematic addition of Li and CO2 to a cobalt phthalocyanine (CoPc) nano?ake employed as the molecular catalyst in the cathode of the Li?CO2 battery by means of computational density functional theory-based methods. The present results predict high adsorption energy of the CO2 molecules (?2.16 eV), low Li-intercalation voltage (1.45 V), reveal the important and constructive in?uence of the electrolyte (dimethyl sulfoxide) on the adsorption and decomposition energies and Li-intercalation voltage, and suggest a through-space electron transfer mechanism for the formation of the Li2C2O4 product on the CoPc nano?ake. Moreover, the high electron a?nity of the CoPc nano?ake along with the suitable thermodynamics and kinetics of electron transfer from the CoPc nano?ake to the CO2 molecules during the formation of the Li2C2O4 product con?rm the potential abilities of the CoPc nano?ake to be used in the Li?CO2 battery. Therefore, present results provide a sound assessment of the capability of the CoPc nano?ake as a cathode material in the Li?CO2 battery and show that this provides a possible and e?ective solution to improve the performance of the Li?CO2 battery and to introduce new Li?CO2?oxalate batteries.
关键词： Li?CO2 battery,cobalt phthalocyanine,electron transfer mechanism,density functional theory,molecular catalyst
更新于2025-09-23 15:21:01
-
Synthesis of novel azo group substituted polymeric phthalocyanine for amperometric sensing of nitrite
摘要： The novel tetraazo-bridged cobalt phthalocyanine polymer [poly(TazoCoPc)] was synthesized by oxy-bridge to extend the conjugation effect on the phthalocyanine molecule. Firstly, the ligand [phenyl-1,4-bisdiazenyl naphthalene-1-oxy] benzene 1,2-dicarbonitrile was prepared and it was characterized. Then, the polymeric phthalocyanine was prepared and characterized by elemental analysis, UV-Vis, FTIR, TGA, XRD and electrochemistry. Polymeric phthalocyanine and carbon nanoparticles (CNP) were mixed and used for modifying the glassy carbon electrode to fabricate the electrochemical voltametric and amperometric nitrite sensor. Composite of phthalocyanine polymer and CNP exhibits enhanced electrocatalytic behaviour for the oxidation of nitrite compared to pure polymeric phthalocyanine. The fabricated amperometric sensor exhibits excellent analytical performance for nitrite detection in the concentration range of 20 nM to 1 μM with a detection limit of 6 nM (S/N = 3) and a sensitivity of 0.137 mA/μM. The modified composite electrode is highly selective and it didn’t show any interference effect even in presence of excess interfering ions such as Mg2+, SO4 2-, K+, CO3 2-, NO3 -.
关键词： phthalocyanine polymer,nitrite sensor,amperometry,carbon nanoparticle,voltametry
更新于2025-09-23 15:21:01
-
Physicala??Chemical Properties of Self-Assembled Structures in Solution of Zinc Phthalocyanine and Bis-3-pentyl-PTCDI Derivative
摘要： For the first time, in this work, we succeed in synthesizing in solution a novel supramolecular self-assembled zinc phthalocyanine (ZnPc) and N,N′-bis(3-pentyl)-perylene-3,4,9,10-bis(dicarboximide) (bis-3-pentyl-PTCDI) system with improved light absorption and phosphorescence lifetime of the charge separated states up to 2.5 ms. Moreover, the structural and optical properties of undoped and doped with iodine ZnPc thin films were investigated by X-ray diffraction, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, Raman analysis, and UV?vis spectroscopy. Analysis of ZnPc:I2:bis-3-pentyl-PTCDI blend in a 2:1 ratio shows that sandwich complexes between them result in improved bulk properties as compared to those of the single-component systems.
关键词： light absorption,Fourier transform infrared spectroscopy,UV?vis spectroscopy,bis-3-pentyl-PTCDI,X-ray diffraction,supramolecular self-assembly,X-ray photoelectron spectroscopy,zinc phthalocyanine,phosphorescence lifetime,Raman analysis
更新于2025-09-23 15:19:57
-
Construction of the 0D/2D heterojunction of Ti3C2Tx MXene nanosheets and iron phthalocyanine quantum dots for the impedimetric aptasensing of microRNA-155
摘要： A promising nanocarrier of the complementary DNA (cDNA) toward miRNA-155 was synthesized on the basis of the nanohybrid type of Ti3C2Tx MXene nanosheets decorated using iron phthalocyanine quantum dots (FePc QDs) (denoted as Ti3C2Tx@FePcQDs) to construct a novel ultrasensitive impedimetric aptasensing system for microRNA-155 (miRNA-155). Owing to π–π* stacking interaction between Ti3C2Tx nanosheets and FePc QDs, the homogeneous nanostructure of the Ti3C2Tx@FePcQD nanohybrid that comprises mixed-valence states (Ti2+/Ti3+ and Fe2+/Fe3+), multicomponent (Ti-O and Ti-C), and various N-related groups was achieved. The constructed Ti3C2Tx@FePcQDs-based aptasensor displayed an ultrahigh sensitivity for detecting miRNA-155 with a low detection limit of 4.3 aM (S/N = 3) within the miRNA-155 concentration ranging from 0.01 fM to 10 pM. Compared with the individual component-based aptasensors and other reported miRNA-155 aptasensors, the proposed impedimetric aptasensing system exhibited substantial merits of a feasible preparation process, non-use of labels or electrochemical indicators, fast response time, and comprehensive sensing performances for detecting miRNA-155. This strategy for determining miRNAs can extensively be applied as the platform for anchoring other kinds of aptamers in detecting diverse targets, thus indicating its great potential application for the early diagnosis of cancer biomarkers.
关键词： Impedimetric aptasensing,Iron phthalocyanine,Nanohybrid,Detection of miRNA-155,Ti3C2Tx MXene nanosheets,Electrochemical aptasensor
更新于2025-09-23 15:19:57
-
Controlled switching of a single CuPc molecule on Cu(111) at low temperature
摘要： Low temperature measurements of the tunneling current as a function of the applied bias voltage have been performed on a dense constant-height grid above individual copper phthalocyanine molecules adsorbed on a Cu(111) surface. By appropriate tuning of the applied bias, the molecule can be reversibly switched between two configurations in which pairs of opposite maxima appear rotated by 90? in the tunneling current map. The underlying conformations are revealed by density functional calculations including van der Waals interactions: a C2v symmetric ground state and two energetically equivalent states, in which the molecule is twisted and rotated around its center by ±7?. For tip biases above 200 mV position-dependent current switching is observed, as in previous measurements of telegraph noise [Schaffert et al., Nat. Mater. 12, 223 (2013)]. In a small voltage interval around zero the measured current becomes bistable. Switching to a particular state can be initiated by sweeping the voltage past well-defined positive and negative thresholds at certain positions above the molecule or by scanning at constant current and a reduced reverse bias.
关键词： density functional calculations,van der Waals interactions,tunneling current,copper phthalocyanine,Cu(111) surface,bistable current
更新于2025-09-23 15:19:57
-
Computational DFT calculations, photovoltaic properties and synthesis of (2R, 3S)-2, 3, 4-trihydroxybutoxy substituted phthalocyanines
摘要： In this study, 4-((2R, 3S)-2, 3, 4-trihydroxybutoxy) phthalonitrile was synthesized and characterized as starting material. This new starting material reacts with cobalt and copper metal salts to obtain metallophthalocyanine complexes. The electronic absorption of cobalt and copper phthalocyanine compounds in different concentrations of THF was investigated. In addition, the solubility and absorption of the compounds in different solvents were investigated. Density functional theory was also performed to support the relevant experimental results of the synthesized copper and cobalt center atomic compound. The photovoltaic performance of compounds was measured as current density–voltage (J–V).
关键词： DFT calculations,aggregation,photovoltaic,synthesis,Phthalocyanine
更新于2025-09-23 15:19:57
-
Self-Assembled Nanophotosensitizing Systems with Zinc(II) Phthalocyanine-Peptide Conjugates as Building Blocks for Targeted Chemo-Photodynamic Therapy
摘要： Two zinc(II) phthalocyanines (ZnPcs) substituted with a short peptide (Gly-Gly-Lys) with either a carboxyl or a carbamoyl group at the C-terminus and an appended biotin moiety were prepared and characterized. They could self-assemble into spherical nanoparticles, namely ZnPc-GGK(B)-COOH NP and ZnPc-GGK(B)-CONH2 NP, through noncovalent interactions, which encapsulated the hydrophobic ZnPc units in the core and exposed the biotin moieties on the surface. The zeta potential of ZnPc-GGK(B)-COOH NP in water was found to be ?28 mV, whereas that of ZnPc-GGK(B)-CONH2 NP was in opposite sign (+15 mV), reflecting the different functionality at the C-terminus, which also greatly affected the stability of the self-assembled nanoparticles. The targeting effect of ZnPc-GGK(B)-COOH NP was examined against human hepatocellular carcinoma HepG2 cells, which overexpress biotin receptor, and Chinese Hamster Ovary CHO-K1 cells, which have a low expression of biotin receptor. This nanosystem was also coassembled with the chemotherapeutic doxorubicin (DOX) to form ZnPc-GGK(B)-COOH/DOX NP. Both ZnPc-GGK(B)-COOH NP and ZnPc-GGK(B)-COOH/DOX NP could induce photocytotoxicity and apoptosis on HepG2 cells with an IC50 value of 1.48 and 0.49 μM ZnPc, respectively. For the latter nanosystem, the ZnPc and DOX components induced cytotoxicity in a synergistic manner. The photodynamic and chemotherapeutic effects of these two nanosystems were also examined on nude mice bearing a human colorectal adenocarcinoma HT29 tumor. The ZnPc-GGK(B)-COOH/DOX NP exhibited a stronger tumor inhibition effect upon irradiation, demonstrating the presence of dual chemo-photodynamic therapeutic actions.
关键词： photodynamic therapy,phthalocyanine,peptide,nanomedicine,self-assembly
更新于2025-09-23 15:19:57
-
Impact of peripheral groups on novel asymmetric phthalocyanine-based hole-transporting materials for perovskite solar cells
摘要： Three novel asymmetrical substituted phthalocyaninecobalt with nitro and (4-butyl formate) phenoxy, (4-propenyl-2-methoxy) phenoxy or (4-methyl formate) phenoxy as different bulky peripheral groups (CoPcNO2-OBFPh, CoPcNO2-OPMPh, CoPcNO2-OMFPh) are successfully developed and applied as dopant-free hole-transporting materials (HTMs) in perovskite solar cells (PSCs). The impact of the different peripheral groups on properties of these phthalocyanines is also investigated. For the modification of bulky aroxy peripheral groups, all of the three metallophthalocyanines exhibit good solubility, suitable hole mobility, high thermal stability, and appropriate HOMO and LUMO energy levels. The most effective device based on CoPcNO2-OBFPh demonstrates an impressive power conversion efficiency (PCE) of 13.91% under AM 1.5G standard conditions, while CoPcNO2-OPMPh and CoPcNO2-OMFPh devices exhibit relative lower PCE of 11.81% and 9.47% respectively. In addition, CoPcNO2-OBFPh-based PSC shows the best stability after 1008 h in air with 50% relative humidity at room temperature.
关键词： Perovskite solar cells,Long-term stability,Hole transporting material,phthalocyanine,Peripheral Groups
更新于2025-09-23 15:19:57