In this study, pristine polythiophene (PTh), polypyrrole (PPy) and their Nickel Oxide (NiO)‐based binary (PTh-NiO, PPy-NiO) and ternary (PTh-PPy-NiO) nanocomposites (NCs) were synthesized. The chemical oxidative polymerization technique is applied to create high-performance supercapacitor electrodes. The structural, morphological, and elemental characterisations are done by applying the XRD, FTIR, XPS, SEM, EDS, mapping, and BET analysis. These investigations confirmed the successful incorporation of NiO, its uniform distribution, and nanoscale architectures. TGA demonstrated enhanced thermal stability upon integration with NiO. The electrochemical behaviour is analyzed by a potentiostat. The incorporation of NiO enhanced the Electrochemical performance of the synthesized PTh-PPy-NiO ternary NCs. Binary PTh-NiO and PPy-NiO NCs show the specific capacitance (Csp) of 337Fg-1 and 371Fg-1 at 1Ag-1. Surprisingly, the PTh-PPy-NiO ternary NC exhibited the superior pseudocapacitive behaviour and achieved a Csp of 516Fg-1 at 1Ag-1 and retained 240Fg-1 at 20Ag-1. The electrode delivered a high energy density of 71.6Whkg-1 and a power density of 500Wkg-1. The cyclic stability maintained ~85% capacitance retention after 3000 cycles. A symmetric supercapacitor device of PTh-PPy-NiO ternary NC delivered a Csp of 272Fg-1 at 1Ag-1. This synergistic integration of PTh, PPy, and NiO yields a highly conductive, thermally robust, and electrochemically efficient electrode material, establishing the PTh-PPy-NiO as a promising candidate for next-generation high-performance supercapacitors.
Carbazole-based self-assembled monolayers (SAMs) have emerged as promising interfacial materials for inverted (p–i–n) perovskite solar cells owing to their simple synthesis, strong binding affinity toward metal oxides, and potential to enhance charge extraction at the interface. In this work, we systematically investigated the phosphonic-acid-based carbazole SAM MeO-4PACz deposited on FTO and NiO in inverted, ambient air-processed MAPbI3 perovskite solar cells. This work focuses on elucidating the interfacial role of MeO-4PACz which remains less explored in the literature, particularly under ambient air processing conditions. We elucidate the influence of this SAM on NiO and FTO surface chemistry, energy level alignment, carrier extraction dynamics at the HTL/perovskite interface and its effect on the optoelectronic properties of PSCs. Our results reveal that the incorporation of NiO beneath the MeO-4PACz layer reinforces interfacial coordination bonding, leading to improved perovskite crystallization and enlarged grain size and enhanced film quality. Furthermore, MeO-4PACz SAM anchoring induces a beneficial shift in the electrode work function improving energy level alignment, which reduces interfacial trap-assisted recombination at the interface and within the perovskite bulk. The combined NiO/SAM interfacial engineering is therefore shown to be the key factor governing both film growth and charge extraction mechanisms Consequently, the optimized FTO/NiO/MeO-4PACz device achieves a champion power conversion efficiency of 15.16% making a bond of 66.6% relative to non-treated samples (9.1%). This dramatic enhancement of power conversion efficiency results from improved open-circuit voltage, increased fill factor, and reduced hysteresis.
Previously, when poly(3,4-ethylenedioxythiophene)/poly 4-styrenesulfonate PEDOT/PSS films were treated with an organic solvent just once, a power factor (PF) of 60 μW/mK² or less was achieved. In the present study, we found a unique and simple film formation process that improves Seebeck coefficients for free-standing thick films (~5μm), utilizing a wall during immersing the PEDOT/PSS in MeOH, followed by drying at 130-180°C. Exactly, this process increased the Seebeck coefficient to over 30 μV/K compared to the 21 μV/K of flat PEDOT/PSS films formed on a glass substrate without a wall. Using this simple process, we obtained a maximum PF of 126 μW/mK². X-ray diffraction analysis revealed that widening of the (100) interplanar spacing, while maintaining a narrow (010) spacing, was associated with simultaneous increases in electrical conductivity and the Seebeck coefficient. By assuming energy filtering between PEDOT particles with different work functions, we modeled the Seebeck coefficient and conductivity by varying the fractions of three phases: a conductive phase, a much higher-conductivity phase with a higher work function capable of energy filtering, and a low-conductivity phase with a low Seebeck coefficient. The calculated results were consistent with the experimental results.
This review offers a comprehensive analysis of indolocarbazole-based (ICZ-based) photovoltaic materials, focusing on their structural evolution and functional diversification across major device platforms. The development trajectory of ICZ-based compounds is mapped from early π-extended photosensitizers and conjugated donor–acceptor polymers toward compact, low-molecular-weight molecules employed in self-assembled monolayers, where interfacial control of energy alignment, molecular orientation, and defect passivation has become the primary design objective. Across dye-sensitized, organic, perovskite, and silicon heterojunction solar cells, general design principles governing performance optimization are identified, highlighting how the role of the ICZ core shifts from bulk light-harvesting and charge-transport functionality to interface-dominated electronic regulation. A comparative assessment of ICZ constitutional isomers further clarifies structure–function relationships within the family, rationalizing the long-standing prevalence of the linear indolo[3,2-b]carbazole framework in bulk semiconductor applications and the emerging relevance of angular ICZ isomers in interfacial engineering strategies. Current challenges and future trajectories are also addressed, emphasizing the shift toward step-economic one-pot cascade syntheses, green processing protocols for sustainable large-area manufacturing, and the adaptation of rigid ICZ scaffolds for emerging flexible photovoltaic applications.
In the present study, a cost-effective ultrasonication method was employed for the green-synthesized CuO/rGO nanocomposites and used as a photocatalyst for MB dye degradation. The crystal structure, morphology, optical response and stability of the nanocomposites were analyzed using XRD, FESEM, EDS, XPS, FT-IR, UV-Vis, PL and TGA, respectively. The effects of catalyst dosage and reaction temperature on dye degradation were examined. At room temperature, 93.97 ± 0.27% dye degradation occurred in 35min of visible light irradiation with an optimum dosage (0.2g/L) of the catalyst in the presence of H2O2 as a synergistic oxidant. The dye degradation efficiency increased with rising reaction temperature. From the thermodynamic analysis, the activation energy (Eₐ) was determined to be 101.60kJ/mol. The positive value of activation enthalpy 95.71kJ/mol indicates the endothermic nature of the reaction. The positive activation entropy confirms the process to be entropy-driven, and Gibbs free energy confirms the spontaneity of the reaction. The role of reactive species involved in dye degradation was validated from scavenger studies. The stability and regeneration of the photocatalyst were analyzed from the zeta potential and recyclability studies, which show 88% dye degradation efficiency even after five cycles, confirming the sustainability of the photocatalyst for MB dye degradation.
This study presents the design, synthesis, and theoretical evaluation of three novel isatin-based thiosemicarbazone Schiff bases (Ot-1, Ot-2, and Ot-3) as potential organic corrosion inhibitors. The targeted compounds were successfully synthesized and structurally characterized using FT-IR, ¹H-NMR, and ¹³C-NMR spectroscopy. To assess their chemical reactivity and corrosion inhibition potential on copper Cu (111) and zinc Zn (0001) surfaces, comprehensive computational studies were conducted. Density Functional Theory (DFT) at the B3LYP level with a mixed basis set approach (6-311+G(d,p) for C, H, N, O, S and SDD with effective core potentials for Br, I) was utilized to calculate global reactivity descriptors, molecular electrostatic potential (MEP), and Fukui functions, while Monte Carlo simulations evaluated adsorption energies in acidic environments. The findings reveal that incorporating polarizable halogen substituents (Br in Ot-2, I in Ot-3) significantly narrows the HOMO-LUMO energy gap (reaching 3.198eV for Ot-3) and increases electrophilicity (ω = 6.032eV), thereby enhancing the molecules' charge-transfer capabilities. Compound Ot-3 demonstrated the most negative adsorption energy (−3878.31kcal/mol on Cu (111)) and highly favorable electron transfer parameters, showing a particular affinity for the Cu surface. Topological analyses (QTAIM, RDG, NCI) further corroborated the presence of strong intramolecular charge transfer and highly stable adsorption configurations. Overall, these computational insights establish a robust theoretical framework identifying these novel compounds as promising candidates to guide future experimental corrosion inhibition testing.
Thin films of high-mobility organic semiconductors, pentacene and 2,6-diphenylanthracene (DPA), were grown using the Close Space Sublimation (CSS) method. CSS offers significant advantages such as rapid deposition and better material utilization compared to conventional Vapor Thermal Evaporation (VTE) method. In this work, optical, structural, and morphological properties of CSS grown films were systematically studied and compared with films prepared by the VTE method. Charge transport characteristics were investigated by fabricating diodes operating in the Space Charge Limited Current (SCLC) region. This study provides key insights into the impact of the CSS deposition technique on the quality of thin films and electrical transport in devices. The results reveal that CSS-grown pentacene exhibits reduced crystallinity and altered charge transport relative to VTE-grown polycrystalline films, whereas DPA shows negligible structural and mobility variations across both growth methods.
The present work reports synthesis of pure ZrO2 and Co (1, 3, 5 and 7 at%) doped ZrO2 nanostructures and optimization of doping concentrations of Co in the ZrO2 matrix, followed by the integration of reduced graphene oxide (rGO) to enhance the electrochemical performance of the Co–ZrO2@rGO based electrodes. The synthesized materials were characterized using different experimental techniques. The electrochemical studies revealed that a 5% Co doped ZrO2 electrode showed optimal charge storage (695F/g). The nanocomposite of 5% Co doped ZrO2 with rGO (5CZR) electrode showed a relatively high specific capacitance of 1245F/g at 3A/g. The enhanced charge storage performance of the 5CZR electrode is also well supported by the results of density functional theory (DFT) calculations. The DFT studies suggest that the Co doping introduces significant changes in the electronic structure of the ZrO2, which in turn reduces the band gap and thereby, enhance its charge storage performance. An asymmetric supercapacitor (ASC) device (5CZR//AC) was fabricated using 5CZR as a positive electrode and activated carbon (AC) as a negative electrode. The energy density of the 5CZR//AC device was found to be 48Wh/kg at a power density of 1500W/kg. A combined effect of Co doping in the ZrO2 and rGO integration has made 5CZR a potential electrode material for next-generation high-performance supercapacitor device applications.
The growing demand for efficient and cost-effective cooling solutions, both indoors and outdoors, especially for personal cooling in outdoor environments, posses a significant global challenge. Current cooling methods often rely on custom optical structures with spectral selectivity, which typically involve complex manufacturing processes, limiting their large scale production and cost-effectiveness. This study aims to develop a radiation cooling material by utilizing the porous structure of poly-L-lactic acid (PLLA) through one-step electrospinning method based on the Non-solvent induced phase separation (NIPS) technique. The resulting membrane, with porous structure, exhibits substantial roughness and a high specific surface area, revealing an impressive average solar reflectance (∼95.7%) under wavelength of (0.25 ∼ 2.5 μm) and mid infrared emittance (∼88.3%) under wavelength of (8 ∼ 13 μm). The study evaluates the indoor cooling performance of porous PLLA, resulting in temperature reductions of approximately 2.6∼3.9°C and 5∼9.2°C compared to smooth PLLA and cotton-covered surface, respectively, under different solar intensities. It also explores the potential of porous PLLA for outdoor cooling applications, emphasizing its hydrophobic, mechanical, and flexible properties. It proposes a cost-effective method for producing high-performance radiative cooling materials using PLLA and underscores its versatility for practical applications.
With the rise of worldwide energy consumption and demands the researches are turning to sustainable and renewable energy technologies based on multifunctional material for energy conversion and storage. The most pivotal aspect of this transition is advancing the electrocatalytic systems to efficient, economical, and more durable technologies. In the present study, we have focused on the synthesis of multifunctional Ni₂P/CeO₂/rGO-based nanocomposite as advanced electrode material, and systematically evaluated its structural, morphological, and electrochemical properties. The crystalline structure, phase purity, oxidation states of constituent elements, and chemical bonding environments of the prepared material were studied. The Ni₂P/CeO₂/rGO-electrode demonstrated the highest specific capacity (Cs) of 1638 C/g, excellent rate performance, and outstanding stable cycling response. Ni₂P/CeO₂/rGO//AC assembled asymmetric battery hybrid supercapacitor (BHSC), system exhibited energy and power (Ed, Pd) densities of 45 Wh kg−1 and 2613 W kg−1, with the highest specific capacity of 378 C g−1, while maintaining excellent long-term operational stability. The Ni₂P/CeO₂/rGO-electrode was further studied for its applicability in overall water splitting, presenting the low overpotentials of 1.51 V, and −0.192 V, and Tafel slopes of 69 mV dec−1 and 91 mV dec−1, for hydrogen evolution (HER) and oxygen evolution (OER) reactions, along with durable catalytic performance. The present detailed study highlights the strong potential of the Ni₂P/CeO₂/rGO electrode for advanced energy storage and conversion systems with excellent efficiency, reproducibility, stability, and scalability applications.
A facile and low-cost approach was used to fabricate electrically conductive polymer hybrids by incorporating polypyrrole (PPy) and multiwalled carbon nanotubes (CNTs) into Argeli bast-fibres based Traditional Nepali Paper (TNP) . The hybrids were fabricated through sequential infiltration of CNTs followed by in situ chemical oxidative polymerization of pyrrole. This method allowed a highly controlled incorporation of the functional materials into the TNP. The fabricated sample PPyC5/TNP demonstrated a response of approximately 457% towards ammonia in humid headspace from 0.58 M aqueous ammonia solution at 24 ℃ during a long exposure cycle of 360 s. This performance was enabled by the hierarchical architecture combining a stable electronic percolation network of CNTs, the chemical sensitivity of PPy and the structural porosity of thin TNP, which cumulatively provided reproducible ammonia detection with high selectivity in humid environments. These flexible TNP-based sustainable and eco-friendly hybrids could be an alternative approach for vapour sensing in the real-world environment.
This study investigates the synergistic integration of poly(3,4-ethylenedioxythiophene)-poly (sodium 4-styrenesulfonate) (PEDOT-PSS) with titanium dioxide (TiO₂) nanoparticles and reduced graphene oxide (RGO) to develop advanced nanocomposites for optoelectronic and sensing applications. Here, we demonstrate the synergistic enhancement of poly(3,4-ethylenedioxythiophene)-poly(sodium 4-styrenesulfonate) (PEDOT-PSS) through strategic incorporation of reduced graphene oxide (RGO) and titanium dioxide (TiO₂) nanoparticles via in situ chemical oxidative polymerization. Comprehensive structural characterization using XRD, HR-TEM, FTIR and SEM confirmed successful integration with strong interfacial bonding and retention of the anatase TiO₂ phase. Systematic UV-Vis spectroscopic analysis revealed concentration-dependent modulation of optical properties, with PPT 30% exhibiting direct and indirect band gaps of 2.84eV and 2.43eV, respectively, alongside an Urbach energy of 1.51eV. Williamson-Hall analysis elucidated the microstructural evolution, showing that moderate TiO₂ loading induces lattice strain while higher concentrations promote structural stabilization. Remarkably, PPR composites demonstrated superior dielectric response and electrical conductivity compared to PPT systems, with PPR 30% achieving the highest dielectric constants across the entire energy range due to enhanced interfacial polarization. Both composite systems exhibited substantially improved opto-electronic performance relative to pristine PEDOT-PSS, with PPR showing exceptional promise for high-conductivity applications. These findings establish PEDOT-PSS/RGO and PEDOT-PSS/TiO₂ nanocomposites as versatile platforms for advanced applications in photovoltaics, energy storage, biosensing and flexible electronics.
This study investigates the electromagnetic interference (EMI) shielding behavior of bio-based poly(butylene succinate-co-adipate) (PBSA) composites filled with magnetite (Fe3O4)-grafted single-walled (SWCNT) and multi-walled carbon nanotubes (MWCNT). Hybrid fillers were synthesized via one-step aqueous co-precipitation onto non-functionalized CNTs, yielding nominal Fe3O4 contents of 15 and 30wt.% (actual: 12.1-26.9wt.%), expressed as a fraction of the total filler mass. They were then incorporated into PBSA at 0.10-2.0 vol.% via solvent casting. Microscopy revealed two distinct hybrid filler morphologies: individual Fe3O4 nanoparticles dispersed along CNT sidewalls and agglomerates concentrated at CNT junctions. Magnetometry showed that the deposited Fe3O4 was superparamagnetic, with specific magnetization calculated to range from 4.7 to 65emu/g depending on crystallite size. Tensile testing revealed up to a 2.2-fold increase in elastic modulus and a 1.4-fold increase in ultimate tensile strength. Sheet resistance indicated percolation at ~ 0.1 vol.%, increasing to ~ 0.5 vol.% after Fe3O4 co-precipitation. The composites were analyzed by electromagnetic spectroscopy in the frequency ranges of 0.1-3GHz and 8.4-12.6GHz. CNT incorporation produced shielding in which dissipation carried the larger share of the shielding effectiveness, with ⟨SEA⟩/⟨SET⟩ ratios of up to 0.78. Fe3O4-grafted MWCNT composites at 1.0 vol.% exhibited a broadband absorption plateau below 3GHz (⟨SEA⟩/⟨SET⟩ ratio of 0.70), which the SWCNT-based composites did not develop in this range. Unmodified SWCNT composites at 2.0 vol.% transitioned to reflection-dominated shielding at 8.4 to 12.6GHz. This work indicates that CNT morphology is an important design variable for absorption-based EMI shielding.
