Charge Carriers Research Articles

Charge Dynamics and Defect States under “Spot‐Light”: Spectroscopic Insights into Halide Perovskite Solar Cells

Halide perovskite solar cells (PSCs) have shown remarkable power conversion efficiencies. However, the inherent defect issues of perovskite materials still limit their performance and long‐term stability, resulting in lifespans far from commercial standards. With their noninvasive approach to probing the electronic and vibrational properties of materials, spectroscopic techniques have become crucial tools for uncovering and understanding defect states and complex charge carrier dynamics in halide perovskites. This review explores the application of various advanced spectroscopic techniques in PSCs to elucidate the complex behaviors of charge carriers within PSCs. These techniques reveal detailed temporal and spatial distributions of charge carriers, enabling precise analysis of defect impacts and interfacial charge transfer processes. By integrating spectroscopic data, it is possible to more accurately identify and mitigate defect‐induced nonradiative recombination and charge transfer, thereby enhancing the stability and efficiency of PSCs. This comprehensive spectroscopic understanding is crucial for developing innovative technologies to accelerate the commercial viability of PSCs.

Harnessing the Potential of Morphologically Tailored ZnSn(OH)6 Nanograss Photoanode for Solar‐Driven Water Splitting

AbstractHydrothermal growth of ZnSn(OH)6 nanograss on ZnO‐coated FTO substrates is demonstrated. Effect of surfactants addition (polyvinylpyrrolidone and polyethylene glycol), precursor concentration, and reaction temperature on surface morphology of ZnSn(OH)6 nanograss are investigated. Addition of surfactant in precursor solution results in growth of approximately 20–30 nm thick nanograss morphology with varying orientation. The nanograss grow longer by increasing the concentration of precursors solution. The grown ZnSn(OH)6, exhibits XRD peaks corresponding to cubic phase ZnSn(OH)6. Optical bandgap of the grown nanograss are calculated in the range from ∼3.0 to 3.5 eV. The nanograss photoanode grown with PEG surfactant (at 200 °C) has shown the highest photocurrent of 2.2 mA/cm2 at RHE 1.23VRHE and photoconversion efficiency of 1.4% at 0.46 VRHE. The longer nanograss has shown lower charge transfer resistance and higher charge carrier concentration, which is favorable for enhancing the PEC performance.

Eco-friendly synthesis and surface modification of ZnO nanoparticles using Pueraria montana root extract: enhanced photocatalytic performance with trisodium pyrophosphate

ABSTRACT The synthesis of zinc oxide (ZnO) nanoparticles using Pueraria montana (kudzu) plant extracts highlights advancements in green nanotechnology. This study explores the use of Pueraria montana roots, rich in phytochemicals such as phenols, terpenoids and flavonoids, which serve as natural reducing and stabilizing agents for nanoparticle synthesis. The eco-friendly production and surface modification of ZnO nanoparticles were achieved using these plant extracts, enhancing their photocatalytic performance with trisodium pyrophosphate (TSPP).Characterization techniques, including XRD, TEM, and FE-SEM, confirmed the nanoparticles’ crystalline structure, with a BET surface area of 14.01 m²/g and a type II adsorption isotherm. The synthesized nanoparticles exhibited exceptional dye degradation capabilities, achieving 99.9% removal of malachite green (MG) and 97.78% for aniline blue (AB). Kinetic analysis revealed a steady-state rate constant (k) of 2 × 10⁻⁴ min⁻¹ for MG where as the response rate constant(k) for the photocatalytic degradation of AB using modified ZnO nanostructures was 3.0 × 10−3 min−1 allowing near-total dye removal within 600 minutes for MG and 350 min for AB . Adsorption studies were well described by Langmuir and Freundlich isotherms, indicating maximum adsorption capacities of 59.7 mg/g for MG and 61.2 mg/g for AB. Surface modification with TSPP improved charge carrier separation and enhanced the generation of reactive oxygen species under UV exposure, further increasing dye degradation efficiency.Statistical analysis indicated high reproducibility, with close mean adsorption values of 99.125 for MG and 97.3125 for AB, supported by small standard deviations. The findings affirm the potential of using Pueraria montana in synthesizing efficient photocatalysts, providing a sustainable and cost-effective approach for water treatment applications. Overall, this research underscores the effectiveness of plant-based materials in advancing eco-friendly nanotechnology solutions.

Sensitive Self-Driven Single-Component Organic Photodetector Based on Vapor-Deposited Small Molecules.

Typically, organic solar cells (OSCs) and photodetectors (OPDs) comprise an electron donating and accepting material to facilitate efficient charge carrier generation. This approach has proven successful in achieving high-performance devices but has several drawbacks for upscaling and stability. This study presents a fully vacuum-deposited single-component OPD, employing the neat oligothiophene derivative DCV2-5T in the photoactive layer. Free charge carriers are generated with an internal quantum efficiency of 20 % at zero bias. By optimizing the device structure, a very low dark current of 3.4 · 10-11Acm-2 at -0.1V is achieved, comparable to the dark current of state-of-the-art bulk heterojunction OPDs. This optimization results in specific detectivities of 1· 1013Jones (based on noise measurements), accompanied by a fast photoresponse (f-3dB = 200kHz) and a broad linear dynamic range (>150dB). Ultrafast transient absorption spectroscopy unveils that charge carriers are already formed at very short time scales (<1ps). The surprisingly efficient bulk charge generation mechanism is attributed to a strong electronic coupling of the molecular exciton and charge transfer states. This work demonstrates the very high performance of single-component OPDs and proves that this novel device design is a successful strategy for highly efficient, morphological stable and easily manufacturable devices.

Exploring Ultrafast Carrier Dynamics in Photoelectrochemical Water Splitting Using Transient Absorption Spectroscopy

AbstractHydrogen fuel produced from water splitting using sunlight remains one of the cleanest and most sustainable energy sources. However, photoelectrochemical hydrogen production faces several challenges, including poor sunlight absorption, deficient charge carrier lifetime and transfer rates, and very sluggish kinetics of the water oxidation half‐reaction. To address these challenges, researchers have concentrated on enhancing the efficiency of photoelectrochemical water splitting. A critical factor in this enhancement is a deeper understanding of the fundamental processes involved in photoabsorption and the subsequent oxidation evolution reaction. The advent of ultrafast lasers has enabled the detailed tracking of charge carriers within materials after sunlight absorption, including their separation and migration to the surface for water oxidation. Ultrafast transient absorption spectroscopy is a powerful technique that allows real‐time observation of the behavior of excited states and charge carriers on femtosecond to nanosecond timescales. Recent studies utilizing ultrafast transient absorption spectroscopy are explored to investigate the dynamics of charge carriers in photoelectrochemical water splitting, providing insights into the mechanisms that lead to the design of enhanced photoanodes with improved efficiency.

Bi2Te3/Carbon Nanotube Hybrid Nanomaterials as Catalysts for Thermoelectric Hydrogen Peroxide Generation

Harnessing waste heat from environmental or industrial sources presents a promising approach to eco-friendly and sustainable chemical synthesis. In this study, we introduce a thermoelectrocatalytic (TECatal) system capable of utilizing even small amounts of heat for hydrogen peroxide (H2O2) production. We developed a nanohybrid structure, combining carbon nanotubes (CNTs) and Bi2Te3 nanoflakes (Bi2Te3/CNTs), through a one-pot synthesis method. Bi2Te3, as a thermoelectric (TE) material, generates charge carriers under a temperature gradient via the Seebeck effect, enabling them to participate in surface redox reactions. However, the rapid recombination of these charge carriers greatly limits the TECatal activity. In the Bi2Te3/CNTs nanohybrid system, the introduction of CNTs substantially enhances the efficiency of H2O2 production, as the strong bonding between CNTs and Bi2Te3, along with the excellent conductivity of CNTs, facilitates charge carrier separation and transport, as confirmed by TE electrochemical tests. This study underscores the significant potential of thermoelectric nanomaterials for converting waste heat into green chemical synthesis.

1/f noise in semiconductors arising from the heterogeneous detrapping process of individual charge carriers

Abstract We propose a model of 1 / f noise in semiconductors based on the drift of individual charge carriers and their interaction with the trapping centers. We assume that the trapping centers are homogeneously distributed in the material. The trapping centers are assumed to be heterogeneous and have unique detrapping rates. We show that uniform detrapping rate distribution emerges as a natural consequence of the vacant trap depths following the Boltzmann distribution, and the detrapping process obeying Arrhenius law. When these laws apply, and if the trapping rate is low in comparison to the maximum detrapping rate, 1 / f noise in the form of Hooge’s relation is recovered. Hooge’s parameter, α H, is shown to be a ratio between the characteristic trapping rate and the maximum detrapping rate. The proposed model implies that 1 / f noise arises from the temporal charge carrier number fluctuations, not from the spatial mobility fluctuations.

Evaluation of Single-Event Effect Current-Carrier Mapping Based on Experimental Data

For single-event radiation damage of power MOSFET devices, this paper aims to establish a statistical analysis method based on external observation (gate/drain current characteristics in irradiation environment) to recognize and evaluate the radiation evolution process and damage mechanism of microscopic physical quantities inside the devices, namely current-carrier (CC) mapping. Firstly, a special data fluctuate–collapse transform analysis method is proposed according to the temporal characteristics of the gate/drain current. Secondly, a carrier dynamic balance ratio based on current data is defined to evaluate the radiation damage degree of the device. TCAD is used to deeply study the relationship between the external current characteristics and the evolution process of internal physical quantities and the damage mechanism. The results show that the current data timing analysis based on fluctuate–collapse transformation can better peer into the evolution process of irradiation events inside the device, and the statistical analysis based on the dynamic balance ratio of carriers can evaluate the severity of irradiation damage to a certain extent.

Exploring the Relationship Between Electrical Characteristics and Changes in Chemical Composition and Structure of OSG Low-K Films Under Thermal Annealing

The influence of annealing temperature on the chemical, structural, and electrophysical properties of porous OSG low-k films containing terminal methyl groups was investigated. The films were deposited via spin coating, followed by drying at 200 °C and annealing at temperatures ranging from 350 °C to 900 °C. In the temperature range of 350–450 °C, thermal degradation of surfactants occurs along with the formation of a silicon-oxygen framework, which is accompanied by an increase in pore radius from 1.2 nm to 1.5 nm. At 600–700 °C, complete destruction of methyl groups occurs, leading to the development of micropores. FTIR spectroscopy reveals that after annealing at 700 °C, the concentration of silanol groups and water reaches its maximum. By 900 °C, open porosity is no longer observed, and the film resembles dense SiO2. JV measurements show that the film annealed at 450 °C exhibits minimal leakage currents, approximately 5 × 10−11 A/cm2 at 700 kV/cm. This can be attributed to the near-complete removal of surfactant residues and non-condensed silanols, along with non-critical thermal degradation of methyl groups. Leakage current models obtained at various annealing temperatures suggest that the predominant charge carrier transfer mechanism is Poole–Frenkel emission.

Core–Shell–Satellite Au@CeO2–Pd Plasmonical Photocatalysts for Suzuki–Miyaura Coupling Reaction

ABSTRACTIntegration of localized surface plasmon resonance (LSPR) metallic nanocrystals into photocatalysis is an intriguing approach for light‐driven organic transformations. However, uncertain direction of hot carriers is a grand challenge, which fails to take full advantage of the LSPR excitation. In this work, core–shell gold@ceria nanosphere–supported segregated palladium species (Au@CeO2–Pd) have developed to steer the light absorption capability and charge carrier migration. Under simulated solar light irradiation, the core–shell–satellite Au@CeO2–Pd exhibited efficient light harvesting and colossal activity in the Suzuki coupling reaction. The plasmon‐induced hot electrons overpassed the Schottky barrier at the Au@CeO2 interfaces and migrated from Au core to CeO2 shell accordingly. Subsequently, the photogenerated electrons and hot electrons migrated from Au@CeO2 core–shells to Pd, which acted as an electron acceptor. Detailed photocatalytic mechanism studies revealed that both photoexcited electrons and holes were the main active species involved in the photocatalytic Suzuki coupling reaction process. In particular, the diphenyl yield over Au@CeO2–Pd catalyst was ~1.7 times higher than that of core–shell–satellite Au@SiO2–Pd, where a 19‐nm‐thick SiO2 shell was introduced to prevent the migration of hot electrons. This distinctly certified that the hot electrons transfer in the core–shell–satellite Au@CeO2–Pd under illumination played an important role to drive Suzuki reaction. Overall, this design of core–shell–satellite Au@CeO2–Pd plasmonic photocatalyst has the potential in the field of photo‐driven organic transformations.

Phenanthridine‐based Covalent Organic Frameworks for Boosting Overall Solar H2O2 Production

AbstractSolar‐driven H2O2 production via the oxygen reduction reaction (ORR) and water oxidation reaction (WOR) dual channels is green and sustainable but severely restricted by the sluggish reaction kinetics. Constructing intriguing photocatalysts with effective active centers is a shortcut to breaking the kinetic bottleneck with great significance. Herein, we synthesize two novel neutral phenanthridine‐based covalent organic frameworks (PD‐COF1 and PD‐COF2) for photosynthesizing H2O2. Compared to the no phenanthridine counterpart (AN‐COF), the H2O2 photosynthetic activities of PD‐COF1 and PD‐COF2 are markedly boosted. In air and pure water without sacrificial agents, under Xe lamp and natural sunlight, the H2O2 photogeneration rate of PD‐COF2 is 6103 and 3646 μmol g−1 h−1, respectively. Further experimental and theoretical inspections demonstrate that introducing phenanthridine units into COFs smoothly modulates the charge carrier dynamics and thermodynamically favors the generation of crucial OOH* and OH* intermediates in the ORR and WOR paths, respectively. Additionally, this is the first time the neutral phenanthridine moiety serves as the photooxidation unit for 2e− WOR towards H2O2 photoproduction. The current work sheds light on exploring novel catalytic centers for high‐performance H2O2 evolution.

Fundamentals of Flexoelectricity, Materials and Emerging Opportunities Toward Strain-Driven Nanocatalysts.

Flexoelectricity, an intrinsic property observed in materials under nonuniform deformation, entails a coupling between polarization and strain gradients. Recent catalyst advancements have reignited interest in flexoelectricity, particularly at the nanoscale, where pronounced strain gradients promote robust flexoelectric effects. This paper comprehensively examines flexoelectricity, encompassing methodologies for precise measurement, elucidating its distinctions from related phenomena, and exploring its potential applications in augmenting catalytic properties. So far, the greatest potentials are based on lead strontium titanate (PST) and other metallic titanates such as titania (TiO2), strontium titanate (STO), barium strontium titanate (BST) sulfates (MoS2, ZnS)and halide perovskites (with archetype XPbI3). This review explores the promise of flexoelectric properties in addressing material and photocatalytic challenges, such as charge carrier recombination and ineffective surface charge separation. Additionally, it sheds light on the synergy with emerging paradigms like photo-flexo catalysis and synergistic flexo-piezo catalysis, specifically focusing on selective chemical transformations like green hydrogen production. Current limitations related to the usage of photoflexoelectricity for photocatalysis are mostly the stability of the used substance (susceptibility to photodegradation) or the voltage values, which represent the inferior potential for specific practical applications. This work underscores the indispensable role of flexoelectricity in catalysisand its capacity to steer future researchand technological advancement.

Luminescence Patterns on Multimillimeter Single-Crystal MAPbBr3 Microplatelets via Thermal Ablation Effects.

The single crystal distinguishes itself as the most outstanding representative of excellent optoelectronic performance among perovskite semiconductors due to its exceptional charge carrier properties, extraordinary optophysics, precise structural geometries, and superior material stabilities. However, it exhibits mediocre performance in light emission, which can be attributed to its excessive carrier diffusion lengths and extremely low recombination rates. To address this challenge, this study puts forward a controllable high-temperature annealing treatment strategy concentrating on multimillimeter-scale MAPbBr3 micrometer-thick platelet single crystals (MPSCs). Through the utilization of thermal ablation effects to convert the surface monocrystalline lattices into polycrystalline perovskite nanocrystals (PNCs) with a remarkably increased specific surface area, the fluorescence intensity arising from the rapid recombination of free carriers on the PNC surface is enhanced by 320 times compared to the pristine MPSC surface. These PNCs produced through surface annealing, with the characteristic of loose adhesion to surfaces, can be mechanically wiped away and regenerated in situ via reannealing the residual MAPbBr3 MPSCs, guaranteeing high intensity, durability, and standard geometric fluorescence. Moreover, by regulating the surface distributions of thermal ablation effects and carrying out embossing annealing treatment or laser direct writing, we can design and fabricate relatively complex, high-contrast (255×), and clearly resolved fluorescence patterns on MPSC surfaces.

Novel Anodic TiO2 Synthesis Method with Embedded Graphene Quantum Dots for Improved Photocatalytic Activity

Photocatalytic degradation of pollutants have a high potential for sustainable and renewable uses. TiO2 is a widely studied photocatalyst due to its high chemical and photochemical stability and wide range of applications. However, the wide band gap and low capacity of photo-induced charge separation provide lower catalytic activity; thus, improvement of these properties must be found. The doping of TiO2 with other elements, such as carbon nanoparticles (CNP) in a quantum dot form, offers a promising pathway to improve the aforementioned properties. In addition, in situ doping methods should be investigated for practical scalability, as they offer the advantage of integrating dopants directly during material synthesis, ensuring a more uniform distribution and better interaction between the dopant and the host material, in turn leading to more consistent photocatalytic properties. Current technologies primarily involve nanoparticle combinations. This work focuses on the development of a novel in situ synthesis methodology by the introduction of three different graphene-based quantum nanodots into anodic TiO2 and the following investigation of structural, morphological, and photocatalytic properties. Results indicate that the introduction of CNP allows for the shift of a set of parameters, such as the optical band gap, increased photo-induced charge carrier density of TiO2/CNP composite, and, most importantly, the change of crystalline phase composition depending on added CNP material. Research indicates that not only a higher concentration of added CNP enhances higher photocatalytic activity as tested by the degradation of methylene blue dye, but also the type of CNP determines final crystalline phase. For the first time brookite and rutile phases were obtained in anodic titania synthesized in inorganic electrolyte by introducing hydrothermally treated exfoliated graphene.

S‐Scheme Heterojunction Engineering of CdS/Bi2WO6 in Breakthrough Piezocatalytic Nitrogen Reduction and Hydrogen Evolution: Performance, Mechanism, and DFT Calculations

AbstractHerein, a novel bismuth tungstate and cadmium sulfide (CdS/Bi2WO6）step‐scheme (S‐scheme) heterojunction piezocatalyst for the first time is developed. The exceptional piezocatalytic nitrogen reduction reaction activity (1.37 mmol L−1 g−1 h−1) is delivered, which is significantly higher compared to pure CdS (0.06 mmol L−1 g−1 h−1) and bare Bi2WO6 (0.45 mmol L−1 g−1 h−1), showing an almost 23‐fold and 3‐fold increase, respectively. This performance greatly exceeds previously reported piezocatalysts and piezo‐photocatalysts. Meanwhile, this catalyst also holds outstanding piezocatalytic hydrogen evolution reaction rate of 1.02 mmol g−1 h−1. Relevant experimental and density functional theory (DFT) calculations results demonstrate that the excellent catalytic capacity of CdS/Bi2WO6 is mainly ascribed to the construction of S‐scheme heterojunction, which greatly promotes piezoelectric performance, enhances the segregating efficiency of charge carriers and redox capacity, regulates electronic structure, optimizes the reaction dynamics processes and reduces the reactions barrier, and induces more active sites. Furthermore, a new piezocatalytic mechanism for the CdS/Bi2WO6 S‐scheme heterojunction is proposed. This research extends the applications of S‐scheme heterojunctions in sustainable energy piezocatalysis and offers insights for designing efficient piezocatalytic systems.

Transient Optical Modulation in Vanadium and Selenium Doped MoS2 by Carrier–Carrier and Carrier–Phonon Interactions

AbstractDoping and alloying induce defect states in atomically thin transition metal dichalcogenides (TMDCs), leading to strong carrier–phonon interactions. The robust excitonic behavior of these layered materials can be modified by injecting a high density of charge carriers. However, comprehending the influence of carrier–phonon and carrier–carrier interactions on the optical properties of 2D materials is crucial for their optoelectronic and photonic applications. Here, transient absorption (TA) spectroscopy is employed to demonstrate the modulation of the transient optical behavior of TMDCs through doping and excitation near Mott density. The TA spectra reveal broadening attributed to carrier–carrier and carrier–phonon interactions, with the broadening being particularly pronounced in vanadium (V) doped TMDCs due to the hybridization of defect and exciton transitions. Analysis of TA kinetics suggests the involvement of various carrier species in the carrier dynamics of TMDCs, with the influence of mid‐gap carriers dominating at higher excitation densities. Nonetheless, the presence of strong carrier–phonon coupling in V‐doped TMDCs is demonstrated by temperature‐dependent Raman and photoluminescence spectroscopy. The results reveal that the enhanced coupling between acoustic phonons and carriers can lead to multiphonon emission. The findings of this study hold promise for controlling the optical response of TMDCs in ultrafast optoelectronic applications.

Enhancing the Light‐Driven Photocatalytic Degradation Activity of ZnO Nanoparticles With the Synergistic Incorporation of Er and Tb Elements

ABSTRACTThe existence of organic pollutants in aqueous media has become a vital issue and a critical threat to human health, where organic toxic dyes represent the major contaminants in wastewater. Over the past few years, photocatalytic techniques have garnered a lot of interest in dye removal from wastewater. In this study, a series of ErxTbxZn1 − 2xO nanophotocatalysts (where x = 0.00, 0.01, 0.03, and 0.05) were synthesized and coded as ZET0, ZET1, ZET2, and ZET3 NPs (nanoparticles). The chemical and physical characteristics of the NPs were investigated using Fourier‐transform infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), energy‐dispersive X‐ray (EDX) spectroscopy, and ultraviolet–visible diffuse reflectance spectroscopy (UV–vis DRS) techniques. Further examination by performing photocatalytic experiments, ZET1 NPs demonstrated effective Rhodamine B (RhB) dye degradation within 60 min. It was found that the kinetic rate constant values were 0.008, 0.097, 0.050, and 0.040 min−1 for ZET0, ZET1, ZET2, and ZET3 NPs, respectively. Aside from their remarkable photocatalytic degradation efficiency, these ZET1 photocatalysts are highly stable even after five consecutive cycles. In addition, the active species test revealed that the primary oxidation species involved in the photocatalytic process are holes (h+) and hydroxyl radicals (•OH), and a possible photocatalytic mechanism for degrading RhB by ZET1 photocatalysts was tentatively proposed. The enhancement of the photocatalytic degradation efficiency is due to the low recombination rate of photogenerated charge carriers, as well as a strong synergistic impact of Tb, Er, and ZnO components. Thus, the current study could offer a versatile strategy for the design of new and effective nano photocatalysts for wastewater purification in the future.

A Facile Microwave-Promoted Formation of Highly Photoresponsive Au-Decorated TiO2 Nanorods for the Enhanced Photo-Degradation of Methylene Blue

The integration of noble metal nanoparticles (NPs) effectively modifies the electronic properties of semiconductor photocatalysts, leading to improved charge separation and enhanced photocatalytic performance. TiO2 nanorods decorated with Au NPs were successfully synthesized using a cost-effective, rapid microwave-assisted method in H2O2 and HF media for methylene blue (MB) degradation under visible light illumination. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N2 physisorption, and UV–vis spectroscopy were employed to characterize the structures, morphologies, compositions, and photoelectronic properties of the as-synthesized materials. The fusing of Au NPs effectively alters the electronic structure of TiO2, enhancing the charge separation efficiency and improved electrical conductivity. The HF treatment promotes the exposure of the highly reactive (001) and (101) crystalline facets. The improved photocatalytic activity of Au/TiO2, achieving 97% efficiency, is attributed to the surface plasmon resonance (SPR) effect of the Au NPs and the presence of oxygen vacancies. The photodegradation of MB using the TiO2/Au photocatalysts follows pseudo-first-order kinetics, highlighting the enhanced catalytic efficiency of the synthesized nanostructures. The exceptional properties of the binary Au/TiO2 photocatalysts, including the SPR effect, exposed crystallographic faces, and efficient charge carrier separation through a decrease in the recombination of electrons and holes, contribute to the photocatalytic degradation of MB.

Z-Scheme Enabled 1D/2D Nanocomposite of ZnO Nanorods and Functionalized g-C3 N4 Nanosheets for Sustainable Degradation of Terephthalic Acid.

The urgent need to mitigate water pollution and achieve Sustainable Development Goal 14 (SDG 14)-Life below water, necessitates developing efficient and eco-friendly wastewater treatment technologies. This research addresses this challenge by photocatalytic degradation of terephthalic acid, a precursor for PET bottles using environment-friendly and biocompatible photocatalysts. The 1D/2D nanocomposite comprising zinc oxide (ZnO) nanorods and functionalized graphitic carbon nitride (Zn-TG) nanosheets were synthesized and thoroughly characterized. The nanocomposite effectively mitigated the individual drawbacks of Zn-TG agglomeration and the wide band gap of ZnO as confirmed through zeta potential and Tauc's plot studies, respectively. The synthesized nanocomposite achieved ~100 % degradation within 60 minutes, exhibiting superior kinetics (~2.5 times) compared to pristine samples. The enhanced degradation efficiency was elucidated by efficient charge carrier transfer (~5 times faster) and separation (~2 times improved) as confirmed through electrochemical impedance spectroscopy and time-resolved photoluminescence studies. The proposed Z-scheme pathway provides mechanistic insights. This proposed mechanism is supported by extensive electron paramagnetic resonance (EPR) and scavenger studies. The liquid chromatography-mass spectrometry (LC-MS) analysis confirms the formation of less toxic byproducts for ensuring that the wastewater treatment process is efficient and environmentally friendly. This research helps in developing a highly effective and sustainable wastewater treatment technology.

Effective Model Reduction Scheme for the Electronic Structure of Highly Doped Semiconducting Polymers.

Highly doped organic polymers have emerged as prominent candidates within novel technological disciplines, yet the fundamental correlation between structure and charge transport characteristics still remains missing. Toward this objective, an efficient model reduction scheme for highly doped polymer chains is developed considering the paradigmatic case of poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS). The reduced model accounts for the chemical and structural details of the conducting polymer chain in addition to the long-range Coulombic interactions between charge carriers (holes) and dopant ions and the Coulombic repulsion between holes residing on the PEDOT chain. The model is shown to reproduce the intrachain hole-density profile of bulk polymer chains within a mean-field description. Furthermore, and critically, the model is adept at determining the energy distribution of doped PEDOT samples that in effect, influences the hole distribution among polymer chains. The hole distribution so obtained broadly upholds the approximation of a homogeneous charge-carrier distribution in doped polymers commonly found in the literature. In addition, it is observed that the spin configuration of the charge carriers dictates the energetics of the doped chains while it is a critical function of the chain length, carrier density, and disorder parameters.