Dimethylformamide Solvent Research Articles

Carboxyl-Group-Bearing Metal Corroles of Cobalt, Manganese and Copper for Electrocatalytic Hydrogen Evolution.

5,15-bis(perfluorophenyl)-10-(4-carboxyphenyl) corrole and its Co(III), Mn(III), and Cu(III) corrole complexes were synthesized. The electrocatalytic hydrogen evolution reaction (HER) of these metal corrole complexes was investigated using different proton sources (AcOH, trifluoroacetic acid, and TsOH) in an organic dimethylformamide solvent. The electrocatalytic HER may proceed through EECC, EECEC, or EEECEC pathways (where E represents electron transfer and C represents proton binding) depending on the acidity and concentration of the proton source used. The Co corrole complex exhibits remarkable hydrogen production performance, achieving a turnover frequency of 201 s-1 and a catalytic efficiency of 1.00. The examined metal corrole complexes also exhibit good HER activity in aqueous solution, with their catalytic activity following an order of 1-Co>1-Cu>1-Mn in both organic and aqueous phases.

Interfacially Cross-Linked Polydopamine/Polybenzimidazole Composite Membranes for Organic Solvent Nanofiltration.

Interfacial cross-linking was used to prepare composite organic solvent nanofiltration (OSN) membranes comprising a polydopamine (PDA) active layer formed on a polybenzimidazole (PBI) substrate. Dibromo-p-xylene (DBX) was employed as a cross-linking agent to make the composite membranes chemically stable against harsh polar aprotic solvents. The interfacial cross-linking of PDA/PBI allowed for finely tuning the molecular weight cutoff (MWCO) of the membrane, resulting in a membrane with precise molecular separation capabilities for OSN. The morphology and surface properties of the membranes were characterized, and a membrane with a MWCO of 286 Da was investigated for OSN of a series of solvents. The membrane permeance was in the order of acetonitrile (MeCN) > methanol (MeOH) > acetone > toluene > dimethylformamide (DMF) > heptane > ethanol (EtOH) > isopropanol (IPA) > tetrahydrofuran (THF). The membranes displayed a sharp pore size distribution, yielding a rejection rate of over 99% for Rose Bengal (RB, MW 1020 g/mol) and Remazol brilliant blue (RBB, MW 626.5 g/mol) from DMF and EtOH solutions. When it came to methyl orange (MO, MW 327.3 g/mol) that had a molecular weight closer to the MWCO of the membrane, the membrane still displayed a high rejection rate of 95% and 99% in nanofiltrating solvents DMF and EtOH, respectively. In addition, it was demonstrated that the membrane was able to effectively fractionate mixed solutes having molecular weights appropriate for the MWCO rating of the membrane during OSN.

Strength Retention of Carbon Fiber/Epoxy Vitrimer Composite Material for Primary Structures: Towards Recyclable and Reusable Carbon Fiber Composites

Recently, the growth of the recyclability of carbon fiber reinforced polymer (CFRP) composites has been driven by environmental and circular economic aspects. The main aim of this research work is to investigate the strength retention of a bio-based vitrimer composite reinforced with carbon fibers, which offers both recyclability and material reusability. The composite formulation consisted of an epoxy resin composed of diglycidyl ether of bioshpenol A (DGEBA) combined with tricarboxylic acid (citric acid, CA) and cardanol, which was then reinforced with carbon fibers to enhance its performance. Differential scanning calorimetry (DSC) and Fourier transform infrared (FTIR) spectroscopy were performed to analyze the chemical composition and curing behavior of the vitrimer. Mechanical testing under tensile loading at room temperature was carried out on epoxy, vitrimer, and associated carbon fiber reinforced composite materials. The results demonstrated that the DGEBA/CA/cardanol vitrimer exhibited thermomechanical properties comparable to those of an epoxy cured with petroleum-based curing agents. It was observed that the maximum tensile strength of vitrimer is about 50 MPa, which is very close to the range of epoxy resins cured with petroleum-based curing agents. Notably, the ability of the vitrimer composite to be effectively dissolved in a dimethylformamide (DMF) solvent is a significant advantage, as it enables the recovery of the fibers. The recovered carbon fiber retained comparable tensile strength to that of the fresh carbon composites. More than 95% strength was retained after the first recovery, which confirms the use of fibers for primary and secondary applications. These research results open up new avenues for efficient recycling and contribute to the overall sustainability of the composite material at an economic level.

Effect of solvent in the solvothermal synthesis of nickel(II)-terephthalate complex

This research aims to replace the use of dimethylformamide (DMF) with a greener solvent in the solvothermal synthesis of nickel(II)-terephthalate complex. Effect of solvent on the crystallinity degree, thermal stability, and band gap energy of the synthesized complex are also studied. The synthesis was carried out using solvothermal method at 150 0C for 10 hours with a Ni(II) : terephthalate acid mol ratio of 1:1 in several H2O:DMF solvent compositions (1:0; 1:1; and 0:1). The precipitated products underwent characterization using ATR-IR, P-XRD, SEM, TGA, Surface Area Analyzer, and UV-DRS. Findings revealed the successful formation of the Ni(II)-terephthalate complex using three different solvent compositions (H2O/DMF = 1:0, 1:1, and 0:1). This suggests that the complex can be synthesized using more environmentally friendly solvents, potentially reducing or substituting the use of DMF solvent. However, the solvent affects the characteristics of the synthesized complex, in which green block microcrystalline solid was obtained when using water as the solvent, meanwhile green aggregates with lower crystallinity degree was precipitated out when using DMF or H2O-DMF. The Ni(II)-terephthalate complexes obtained from the H2O and H2O-DMF solvents are different to that of from the DMF solvent, but they both has identical powder diffraction pattern with previously reported compound of [Ni3(OH)2(C8H4O4)2(H2O)4].2H2O. Furthermore, the use of water as the solvent increase the crystallinity degree and thermal stability of the complex but the band gap energy of the synthesized Ni(II)-terephthalate complex compared to that of obtained from the DMF solvents.

Zn(II)-based mechanically flexible metallosupramolecular network: Investigating rheology, morphology, anti-bacterial effect and semiconducting device performances

Synthesis of supramolecular Zn(II)-metallogel of succinic acid with N,N′-dimethyl formamide (DMF) solvent has been explored in this present study. Succinic acid is used as a low molecular weight gelator (LMWG) and DMF acts as a metallogel-immobilized solvent-media. Mechanical flexibility, viscous, and elastic behaviours of the metallogel are characterized by exhaustive rheological experiments. Different rheological parameters like storage modulus (G′) and loss modulus (G″) are evaluated for certain regions of shear strain and angular frequency. The morphological decoration of xerogel material obtained from Zn(II)-based metallosupramolecular gel (i.e., Zn-Succinic) has been visualized through field emission scanning electron microscope (FESEM). Energy dispersive X-ray analysis (EDX) verifies the active involvement of metallogel-forming chemical constituents. The flexible metallosupramolecular scaffold-construction strategy has been unveiled through infrared spectroscopic data and ESI-Mass investigations. The antibacterial potency of Zn(II)-directed metallogel has also been verified against several Gram-positive bacteria (i.e., Bacillus cereus (ATCC 13061), Bacillus subtilis (MTCC 121), Listeria monocytogenes (MTCC 657), Staphylococcus aureus (MTCC 96)), and two Gram-negative bacterial strains (i.e., Salmonella typhimurium (MTCC 98) and Escherichia coli (MTCC 1667)). Even, Zn-Succinic metallogel exhibits Schottky diode behaviour with a significant non-linear rectifying nature in I-V curve, proving the semiconducting diode features with electrical parameters.

Extractive Distillation of Isobutyl Alcohol and Isobutyl Acetate Using Dimethyl Sulfoxide: Process Design and Intensification

AbstractWe have designed a separation process of isobutyl alcohol (52.0 mol%) and isobutyl acetate (48.0 mol%) mixture using conventional extractive distillation (ED) and extractive dividing‐wall column (E‐DWC) with the solvent dimethyl sulfoxide (DMSO). The binary mixture exhibits a minimum boiling azeotrope that is sensitive to pressure. Thermodynamic analyses have shown that the vacuum pressures work better compared to the atmospheric pressure when DMSO is the solvent. Based on the separation with a purity of 99.9 mol%, the E‐DWC process has resulted in 9.6 % and 4.8 % reductions in the total annual cost and CO2 emission rates, respectively, in comparison to the conventional method. After further intensification using the heat pump technique, the E‐DWC process with the solvent DMSO has provided more than 40.0 % reduction in energy consumption compared to the ED systems studied in the literature using the solvents butyl propionate and dimethylformamide.

Aptamer-Based Electrochemical Biosensing Platform for Analysis of Cardiac Biomarkers.

Monitoring biomarkers secreted by cardiomyocytes is critical to evaluate anticancer drug-induced myocardial injury (MI). Cardiac troponin I (cTnI) is considered the gold standard biomarker for MI. Herein, an electrochemical aptasensor is engineered for cTnI detection based on lanthanide europium metal-organic frameworks (Eu-MOFs) and a hybridization chain reaction-directed DNAzyme strategy. Three types of Eu-MOF morphologies were easily synthesized by changing the solvent, and the Eu-MOF modulated by mixing the solvent of dimethylformamide and H2O (D-Eu-MOF) exhibited the best performance compared to other morphologies of the Eu-MOFs. Multifunctional nanoprobes were constructed from D-Eu-MOF@Pt loaded with natural horseradish peroxidase and combined with an aptamer-initiated nuclear acid hybridization chain reaction to form G-quadruplex/hemin DNAzymes for signal amplification. A novel capture probe is constructed on the basis of DNA nanotetrahedrons modified on screen-printed gold electrodes to enhance the capture of the target and multifunctional nanoprobes for signal amplification. It exhibits a detection limit of 0.17 pg mL-1 and a linear range from 0.5 pg mL-1 to 15 ng mL-1. The practicality of the platform is evaluated by measuring cTnI in real samples and secreted by cardiomyocytes after drug treatment, which provides great potential in drug-induced MI evaluation for clinical application.

Studies of third order nonlinearity and thermal diffusivity of C3OC dye using thermal lens technique

An FT-IR spectrometer and a UV–Visible spectrometer were utilised in order to characterise the Cyanidin-3-O-glucoside chloride (C3OC) dye. The dye’s thermally induced optical nonlinearity was measured in a dimethylformamide solvent using an adjustable diode-pumped solid-state (DPSS) laser at 473 nm. The optical response was measured using the Z-scan technique. The dye showed negative and large nonlinear refractive index) NRX) values, with high nonlinear absorption coefficients (NBO). Because of its ability to change with concentration, the NRX is a viable candidate for applications in the field of nonlinear optics. Thermal lens (THS) technique was used to investigate thermo-optical properties and the NRX. The optical limiter capabilities of the C3OC dye are being investigated as a potential use.

In Situ Formation of Stable Dual-Layer Solid Electrolyte Interphase for Enhanced Stability and Cycle Life in All-Solid-State Lithium Metal Batteries.

All-solid-state lithium metal batteries have emerged as a promising solution to overcoming the energy density and safety challenges associated with conventional lithium-ion batteries. Solid polymer electrolytes, particularly those based on poly(vinylidene fluoride) (PVDF) and dimethylformamide (DMF), demonstrate significant potential. However, interfacial side reactions between residual DMF solvents and lithium metal present substantial challenges. In this study, we investigate the in situ formation of solid electrolyte interphase protective layers to mitigate these side reactions. By incorporating F-rich additives, such as fluoroethylene carbonate and lithium difluorophosphate, we successfully establish a dual-layer inorganic SEI structure characterized by an outer LiF layer and an inner Li2O layer. Consequently, our approach extends the cycle life of lithium symmetric batteries to 3000 h. Additionally, the Li||LiFePO4 solid-state battery demonstrates exceptional stability, enduring 400 cycles at a 1C rate with an impressive capacity retention of 84%. This strategic methodology effectively leverages the benefits of residual solvents, ensuring both enhanced battery efficiency and long-term operational stability for PVDF-based all-solid-state lithium metal batteries.

Designed Polar Cosolvent-Prepared Zinc Oxide Film for Efficient and Stable Inverted Organic Solar Cells.

Here, a simple method of applying dimethylformamide (DMF) as cosolvent in the sol-gel technology is used to improve the quality of ZnO bulk films. First-principles calculations show that with the addition of polar solvent DMF, the adsorption energy (Eads) between the solvent and Zn(OH)₂ increases from -1.42 to -1.74eV, which can stabilize the existence of Zn(OH)₂, thereby promoting the ZnO synthesis. Besides, the elimination of amine residues in the DMF-ZnO film significantly suppress the photocatalytic activity induced by amine-induced coordination or redox reactions. Inverted organic solar cells (OSCs) based on PM6:Y6 and PM6:BTP-eC9 achieves impressive power conversion efficiencies (PCE) of 17.58 and 18.14%, respectively. Furthermore, benefiting from the reduced defects of bulk ZnO, pseudo-bilayer bulk heterojunction (PBHJ) devices based on the optimized ZnO film exhibited superior stability, the PM6:Y6 devices based on DMF-ZnO ETLs can maintain 90.28% of their initial PCE after 1000 h of thermal aging at 85°C, and 80.98% of their initial PCE after 168 h of UV aging. This simple solvent optimization strategy can significantly improve the charge transport of ZnO bulk films, making it a reliable strategy for the preparation of electron transport layers in OSCs.

Addition of a Polar, Porous Phase-Inversion-PVDF Membrane to Lithium–Sulfur Cells (LSBs) Already with a Microporous Polypropylene Separator Enhances the Battery Performance

Lithium–sulfur batteries (LSBs) are widely studied as an alternative to lithium-ion batteries, this emphasis being due to their high theoretical energy density and low cost, and to the high natural abundance of sulfur. Lithium polysulfide shuttling and lithium dendrite growth have limited their commercialization. Porous polyvinylidene fluoride (PVDF) separators have shown improved performance (relative to hydrocarbon separators) in lithium-ion batteries due to faster lithium-ion migration and higher Li+ transference number. A thin polar PVDF membrane has now been fabricated via phase inversion (an immersion-precipitation method) yielding a β (polar) phase concentration of 72%. Preparation from commercial PVDF used dimethylformamide (DMF) solvent at the optimized crystallizing temperature of 70 °C, and pores in the membrane were generated by exchange of DMF with deionized water as non-solvent. The polar PVDF film produced has the advantages of being ultrathin (15 µm), lightweight (1.15 mg cm−2), of high porosity (75%) and high wettability (84%), and it shows enhanced thermal stability relative to polypropylene (PP). The porous, polar PVDF membrane was combined with a commercially available PP membrane to give a hybrid, two-layer, separator combination for LSBs. A synergy was created in the two-layer separator, providing high sulfur utilization and curbing polysulfide shuttling. The electrochemical performance with the hybrid separator (PP–β-PVDF) was evaluated in LSB cells and showed good cyclability and rate capability: those LSB cells showed a stable capacity of 750 mA h g−1 after 100 cycles at 0.1 C, much higher than that for otherwise-identical cells using a commercial PP-only separator (480 mA h g−1).

Enhanced nonlinear optical and optical limiting responses of 7-diethylamino-4-methyl coumarin functionalized with silver nanoparticles: A combined experimental and DFT study

The present study accounts for the enhanced nonlinear optical and optical limiting activity of 7-diethylamino-4-methyl coumarin (7DMC) after the addition of silver nanoparticles. The theoretical calculations were done in three different solvents water, methanol, and dimethyl formamide (DMF), and on the basis of the energy gap, DMF was selected as the most suitable solvent. Further, the liquid samples were prepared in DMF. The natural bond orbitals show the active participation of the lone pairs of electrons of 2O and 35Ag as donor and acceptor moieties respectively. The values of first-order hyperpolarizability of the 7DMC+Ag3 combination were raised to 2002.71 × 10−30 esu, 778.72 × 10−30 esu, and 677.12 × 10−30 esu in water, methanol, and DMF. The valley-like structure in the Z-Scan spectra indicated the occurrence of reverse saturable absorption in the prepared samples. The optical limiting threshold of the 7DMC+AgNps was decreased from that of the probe 7DMC and AgNps indicating the early attenuation of the optical limiting nature of the combination. Thus, the overall results validated the enhanced optical nonlinearity of the combination. Moreover, it can be stated that the proposed nanoparticles combination 7DMC+AgNps has potential candidature to be used for the fabrication of laser safety devices and eye aids.

The impact of PAC-loaded polymer membrane thickness on chloroform removal and comparison of solvent and thermal membrane regeneration methods.

Powdered activated carbon (PAC) has better adsorption performance than granular activated carbon (GAC) and is widely used in water purification. In most cases, PAC is dosed into water directly, then precipitated as sludge, and landfilled. In this study, PAC was mixed with a polymer and dissolved in dimethylformamide (DMF) solvent to form a PAC-loaded membrane, which was then tested for chloroform removal. The chloroform adsorption capacity of the PAC membrane increased with increasing membrane thickness because of higher carbon loading. However, regardless of membrane thickness, the flux of the PAC membranes was similar since flux resistance predominantly occurred at the top dense polymer surface. This dense surface can be removed by sandpaper polishing, where the adsorption capacity of the polished PAC membranes was 20% higher than the unpolished membranes because of more even distribution of feed water on the polished surface. Removal of the dense surface via polishing increased the flux by 97% to 130%, exceeding the flux of typical household carbon block filters. Using DMF to regenerate the membrane recovered 48% to 66% of the initial adsorption capacity. Thermal regeneration of the exhausted PAC membrane at 250°C was more effective than DMF regeneration (both in terms of cost and performance), with 83% to 94% PAC membrane regeneration efficiency over four regeneration recycles. After four thermal regeneration cycles, flux increased by 300% and the membrane became brittle because of thermal aging of the polymer, indicating that a total of 6h of regeneration time (equivalent to three cycles in this study) was the limit for effective PAC membrane performance. PRACTITIONER POINTS: Powdered activated carbon was immobilized on a membrane to remove chloroform from water. Thicker membranes increased adsorption capacity but did not impact flux. Flux and capacity increased using polishing to remove the dense polymer surface and more evenly distribute flow across the membrane. Thermal regeneration of the membrane at 250°C was effective for up to three cycles and outperformed solvent-based regeneration. PAC-loaded filters are relevant for applications such as household carbon block filtration.

Understanding microwave-assisted extraction of phenolic compounds from diverse food waste feedstocks

Microwave-assisted extraction (MAE) of natural antioxidants from food waste (FW) offers an economically appealing waste management strategy. However, MAE from mixed FW has received limited attention. We characterize five single waste streams (apple, coffee, olive, tomato, and potato peel waste) and study MAE of phenolic acids from select feedstocks and mixtures. This library of materials enables us to unravel the relationship of FW composition and physical properties with dielectric properties, heating, and extractive yields. Protein, ash, and moisture contents affect dielectric properties the most. Our study unveils the significance of moisture in free (> 20 wt%) and bound states (< 20 wt%) on FW dielectric properties, heating, and target acid yields (at least 33 % enhancement). Microwaves primarily heat the solvent (dimethylformamide) due to its superior dielectric properties compared to FW (dry and moist, single and mixtures) at ≤ 0.05 solid-to-liquid ratio (g/mL). High moisture content (> 20 wt%) provides higher phenolic yields at lower temperatures (< 100 °C) and shorter times (≤ 10 min) due to enhanced heat and mass transfer by microwaves. Further, our data indicates significant interactions between mixed FW components that drive 2–3x higher yields than those predicted from a simple additive model from single component results. Our work provides new insights for developing versatile MAE strategies to treat mixed FW feedstocks.

Comparative Vision of Nonlinear Thermo-Optical Features and Third-Order Susceptibility of Mechanically Flexible Metallosupramolecular Self-Repairing Networks with Isomeric Organic Acids.

Two self-healing-type supramolecular Ni(II)-metallogels are achieved. The choice of proper low-molecular-weight organic gelators such as trans-butenedioic acid (i.e., trans-BDA) and cis-butenedioic acid (i.e., cis-BDA) and triethylamine in N,N'-dimethylformamide solvent facilitates the metallogelation process. Through rheological investigations the mechanical robustness and viscoelastic properties of synthesized metallogels are explored. An in-depth exploration of thixotropic behavior also supports their self-healing features. Notably, distinct variations in morphologies of metallogels are also ascertained through field emission scanning electron microscopy studies. Furthermore, the existence of versatile noncovalent supramolecular interactions operating throughout the metallogel network is clearly revealed via Fourier transform infrared spectroscopy. Electrospray ionization-mass studies also explore the construction protocol of individual Ni(II)-metallogels. The Z-scan measurements with a 532 nm continuous wave laser were employed to unveil the nonlinear thermo-optical response of two synthesized self-healing metallogels, i.e., trans-BDA-TEA@Ni(II) and cis-BDA-TEA@Ni(II). Crucial parameters like the nonlinear refractive index, nonlinear absorption coefficient, thermo-optical coefficient, and third-order susceptibility of these metallogels are obtained. Metallogels show negative signs for the nonlinear refractive index and the nonlinear absorption coefficient. The real parts of the third-order susceptibility for these metallogels are much greater than the imaginary parts (i.e., χR(3) > χI(3)), making such metallogels very promising for all optical-switching applications.

Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate

In the crystal structure of the title compound, {[Co(C11H9NSO5)(C10H9N3)]0.5C3H7NO·H2O} n or {[Co(dmtb)(dpa)]·0.5DMF·H2O} n (dmtb2– = 5-[(dimethylamino)thioxomethoxy]-1,3-benzenedicarboxylate and dpa = 4,4′-dipyridylamine), an assembly of periodic [Co(C11H9NSO5)(C10H9N3)] n layers extending parallel to the bc plane is present. Each layer is constituted by distorted [CoO4N2] octahedra, which are connected through the μ 2-coordination modes of both dmtb2– and dpa ligands. Occupationally disordered water and dimethylformamide (DMF) solvent molecules are located in the voids of the network to which they are connected through hydrogen-bonding interactions.

Removal of Mo(VI), Pb(II), and Cu(II) from wastewater using electrospun cellulose acetate/chitosan biopolymer fibers

Environmentally friendly polymers such as cellulose acetate (CA) and chitosan (CS) were used to obtain electrospun fibers for Cu2+, Pb2+, and Mo6+ capture. The solvents dichloromethane (DCM) and dimethylformamide (DMF) allowed the development of a surface area of 148 m2 g−1 for CA fibers and 113 m2 g−1 for cellulose acetate/chitosan (CA/CS) fibers. The fibers were characterized by IR-DRIFT, SEM, TEM, CO2 sorption isotherms at 273 K, Hg porosimetry, TGA, stress-strain tests, and XPS. The CA/CS fibers had a higher adsorption capacity than CA fibers without affecting their physicochemical properties. The capture capacity reached 102 mg g−1 for Cu2+, 49.3 mg g−1 for Pb2+, and 13.1 mg g−1 for Mo6+. Furthermore, optimal pH, adsorption times qt, and C0 were studied for the evaluation of kinetic models and adsorption isotherms. Finally, a proposal for adsorbate-adsorbent interactions is presented as a possible capture mechanism where, in the case of Mo6+, a computational study is presented. The results demonstrate the potential to evaluate the fibers in tailings wastewater from copper mining.

Facile synthesis of highly stable and efficient MAPbI3 perovskite quantum dots: Spectroscopic characterization and defect analysis

The hybrid methylammonium-based perovskite quantum dots (PQDs) have attracted tremendous attraction for display devices due to their low cost, high luminescence, and color purity. The large-scale production of PQDs is constrained due to the use of toxic and hazardous solvents such as dimethylformamide (DMF) in the synthesis process. Here, a novel approach to prepare PQDs using an environment-friendly solvent, gamma-valerolactone (GVL), is proposed. The synthesized PQDs were found to be uniform with less defect states as compared to the conventionally used DMF solvents, confirmed by different characterizing techniques. The stability of GVL-based PQDs was also found to be improved and proved the efficiency of the present method. Photoluminescence quantum yield (PLQY) of 98 % and single tetragonal CH3NH3PbI3 phase of GVL-derived sample retained over 15 days while the decomposition and degradation were observed in the DMF-derived sample within a short duration. A protocol for the preparation of CH3NH3PbI3 PQDs with less intrinsic defects and uniform optoelectronic properties is presented and paves the way for further modifications and applications.

N-doped carbon quantum dots obtained from citric acid and L-phenylalanine

Hydrophobic N-doped carbon quantum dots (N-CQDs) were prepared using citric acid and L-phenylalanine through hydrothermal synthesis at optimum conditions (temperature T = 200 °C and time t = 9 h) and thoroughly investigated with different techniques. In organic solvents (ethanol, chloroform, dimethyl formamide, and xylene) under 350 nm excitation wavelength, N-CQDs exhibit intensive blue photoluminescence (PL) with the quantum yield equal to 36.5 %. Being embedded into polymer matrices (poly(methyl methacrylate) and epoxy resin), N-CQDs preserved their high PL.

Rational Design of New Small Derivatives of 2,2'-Bithiophene as Hole Transport Material for Perovskite Solar Cells.

Using Density Functional Theory (DFT) and Time Dependent DFT (TD-DFT) methods, this inquiry theoretically examines seven novel hole-transport materials (HTMs) namely DFBT1, DFBT2, DFBT3, DFBT4, DFBT5, DFBT6, and DFBT7 based on the 2,2'bithiophene core for future use as HTMs for perovskite solar cells (PSCs). The model molecule has been modified through substituting the end groups situated on the diphenylamine moieties with a tow acceptor bridged by thiophene, this modification was performed to test the impact of the π-bridge and acceptor on the electronic, photophysical, and photovoltaic properties of the newly created molecules. DFBT1 - DFBT7 displayed a lower band gap (1.49 eV to 2.69 eV) than the model molecule (3.63 eV). Additionally, the newly engineered molecules presented a greater λmax ranging from 393.07 nm to 541.02 nm in dimethylformamide solvent, as compared to the model molecule (380.61 nm). The PCEs of all newly designed molecules (22.42% to 29.21%) were high compared with the reference molecule (19.62%). Thus, this study showed that all seven newly small molecules were excellent candidates for a novel PSC.