Abstract Inorganic and molecular photocatalysts represent two powerful yet historically distinct pathways for solar energy conversion. This review argues that their convergence, guided by rational ligand design, is the key to next-generation device performance. We bridge the gap between robust inorganic semiconductors, such as metal oxides, chalcogenides, and perovskites, and tunable molecular components, including bio-inspired and synthetic ligand systems. The discussion is structured around their integration into key device architectures: Dye-Sensitized Solar Cells (DSSCs), Perovskite Solar Cells (PSCs), and Photoelectrochemical Cells (PECs), where ligands dynamically govern interfacial processes. Beyond fundamental roles, we explore advanced architectural strategies like heterojunction engineering and nanostructuring, which are enhanced by tailored ligands. Critical challenges at the hybrid interface, such as the stability, charge transport trade-off, are analyzed to outline a pragmatic research agenda. Future progress hinges on bio-inspiration, computational material screening, and sustainable design, ultimately advancing toward adaptive, smart interfaces. By framing the journey from ligand design to device integration, this review underscores that the strategic fusion of inorganic and molecular photochemistry is essential for efficient, durable, and scalable solar energy technologies.

The existing water scarcity crisis and the digital transformation in chemistry present both unprecedented opportunities and formidable challenges for the discovery of desalination materials. This review critically examines the digital chemistry revolution as applied to coordination framework-based desalination technologies, namely metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and related porous architectures, across four interconnected domains, viz., high-throughput computational screening, generative artificial intelligence, multi-scale modeling, and digital twins. The article argues that while computational throughput has increased by orders of magnitude, the field confronts a growing validation crisis for the asymmetry between exponentially expanding in silico predictions and the linear, labour-intensive pace of experimental confirmation. By critically dissecting methodological assumptions, quantifying persistent gaps (aqueous force-field accuracy, synthetic accessibility of artificial intelligence (AI)-generated structures, crystallizability prediction, and the absence of standardized experimental benchmarks), and evaluating the epistemological shift from target evaluation to machine-guided discovery, a roadmap for rebalancing prediction and validation has been proposed. The digital chemistry revolution cannot merely accelerate existing workflows; it must fundamentally reconfigure the relationship between computation and experiment. Based on the study, it is concluded that a coordinated infrastructure agenda, comprising open aqueous stability databases, adversarial benchmarking protocols, and integrated autonomous discovery platforms, is an essential prerequisite for translating digital promise into desalination technology.

The quest for clean water is as ancient as civilization itself, evolving from the stochastic pores of clay vessels to the precisely engineered nanochannels of modern two-dimensional (2D) materials. Unlike previous reviews that focus primarily on material synthesis or specific applications, this review uniquely traces the conceptual lineage from ancient purification principles to modern 2D materials, demonstrating how atomic-scale engineering augments rather than replaces historical mechanisms. The survey provides a critical comparative framework that systematically evaluates performance across contaminant classes, identifies key research gaps, and proposes specific targets for practical implementation. This historical-to-horizontal perspective provides researchers with both contextual understanding and practical guidance. The study examines how carbon-based 2D platforms, graphene, graphene oxide (GO), reduced graphene oxide (rGO), and MXenes, have transformed water decontamination from a macroscale filtration art into an atomic-scale separation science. It reveals how these materials refine and augment historical purification mechanisms like size-exclusion sieving progresses from micron-scale randomness to ångström-level precision, adsorption shifts from general electrostatic capture to targeted chemical scavenging, and disinfection advances from leaching biocides to contact-based photothermal and catalytic destruction. Beyond inheriting ancient principles, 2D materials introduce novel functionalities including electrocatalytic degradation, plasmonic disinfection, and tunable ionic selectivity, enabling unprecedented removal of heavy metals, organic pollutants, pathogens, and emerging contaminants. However, despite remarkable laboratory performance, critical challenges in scalability, cost, stability, fouling, and environmental safety persist. This review not only deals with the state of the art but also provides a forward-looking framework for transitioning these advanced materials from bench-scale innovation to sustainable, real-world water treatment solutions.

This study focuses on the inhibition performance of two derivatives based on triazole, VTA and NPTA in E24 carbon steel at 298 K and 328 K in the presence of HCl (1 M) The electrochemical measurements showed that both compounds efficiently inhibit the corrosion of E24 carbon steel in 1 M HCl, with NPTA exhibiting slightly higher inhibition performance than VTA. However, the inhibition efficiency of both inhibitors decreased with increasing temperature, suggesting partial weakening of the adsorbed protective layer at elevated temperature. A concentration of 10−3 M is optimal as shown by the considerable diminishing of Icorr from the initial pure solution value (1416.053 µA cm−2) with NPTA and VTA at 147.83 µA cm−2 and 159.16 µA cm−2, respectively. The maximum inhibition efficiencies are 89.56% and 88.76% of NPTA and VTA, respectively.The increase in polarization resistance at 298 K confirms the improved corrosion resistance of E24 steel due to the formation of an adsorbed protective layer on the metal surface. The maximum polarization resistance values of 472.21 ± 3.16 Ω cm² and 414.21 ± 3.36 Ω cm² were obtained for NPTA and VTA, respectively, corresponding to inhibition efficiencies of 89.87% and 88.46% at 10⁻³ M. The adsorption free-energy values, close to −9.3 kcal mol⁻¹, support spontaneous adsorption with mixed physico-chemical character rather than a purely physical or purely chemical process.Potentiodynamic polarization analyses indicate minimal variation in corrosion potential (Ecorr) implicating that they function as mixed-type inhibitors, influencing anodic metal dissolution and cathodic hydrogen evolution reactions. The SEM analysis of the surface morphology indicates considerable improvement in the smoothness of the surface of all inhibited samples compared with the uninhibited steel, while NPTA-treated surfaces have more uniform morphology and fewer defects. Adsorption studies were consistent with a predominantly Langmuir-like behavior, suggesting a spontaneous and strong mixed adsorption process involving both electrostatic interactions and donor–acceptor interactions between the inhibitor molecules and the steel surface. Quantum chemical calculations further indicate that the electron-donating ability and adsorption stability of NPTA are superior to those of VTA, which aligns well with its much better inhibition performance in experiments.In general, these findings emphasize the effective corrosion inhibition treatment for E24 carbon steel in acidic environments via VTA and NPTA, with favorable performance of NPTA over VTA especially under reduced temperatures.

The inexorable rise in global energy demand, coupled with the pressing imperative to mitigate anthropogenic climate change, has catalyzed unprecedented research effort into renewable energy sources. Photochemistry, the study of chemical reactions initiated by light, is fundamentally shaping this landscape, particularly in solar energy conversion. This review provides a comprehensive and critical analysis of current trends in photochemistry that are directly enabling the development of next-generation renewable energy technologies. We delve into the operational principles, recent advances in materials, and persistent challenges across three pivotal photochemical systems: photoelectrochemical (PEC) devices, artificial photosynthetic systems for solar fuel production, and dye-sensitized solar cells (DSSCs). The discourse highlights the strategic shift from scarce, noble-metal-based components towards earth-abundant alternatives, the integration of molecular and solid-state systems in hybrid architectures, and the critical pursuit of long-term operational stability. While significant progress has been made in understanding charge transfer dynamics and tailoring material properties at the nanoscale, the path to widespread commercialization necessitates continued interdisciplinary innovation to overcome efficiency, durability, and scalability hurdles. This critical evaluation of the current state of the art aims to illuminate both the remarkable achievements and the fundamental scientific questions that remain at the forefront of photochemical energy research.

Developing advanced and efficient materials for green energy technologies is vital for advancing energy conversion and environmental sustainability. This paper presents the synthesis and characterization of undoped and SWCNT-doped titanium dioxide (TiO₂) pellets. We systematically investigated how different SWCNT doping levels affect the physical and electrical properties of the resulting material. Structural, morphological, compositional, and electrical analyses were executed using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and electrochemical impedance spectroscopy (EIS). All samples were verified by XRD to be polycrystalline with anatase phase, while increasing the content of SWCNT resulted in a decrease in crystal size and an increase in density. Although the overall elemental composition remained almost unchanged, XPS analysis revealed the composition of oxygen vacancies and Ti³⁺ states, which are essential in controlling the electrical behavior. EIS measurements indicated thermally activated thermal conductivity, with clear semiconductor behaviour characterized by low resistance at high temperatures. Overall, these results provide valuable insights into the design of TiO₂-based materials doped with SWCNT for sustainable energy storage applications.

Correction for ‘Molecular and materials design for efficient solar energy conversion: a review of photochemical technologies’ by Abdulrahman A. Alsimaree et al., RSC Adv. , 2026, 16 , 5864–5876, https://doi.org/10.1039/D5RA09833E.

Ruthenium (Ru) incorporation represents an effective strategy for tuning the optoelectronic properties of titanium dioxide (TiO2) for solar energy conversion applications. In this study, Ru-doped TiO2 samples with varying dopant concentrations (0–5

The series of substituted 1, 4-dihydropyridine (DHP) derivatives (4a-4d) have been synthesized using a one-pot multi-component condensing route and tested as organic semiconductor thin films. Structural variation at the C4 position was used to achieve systematic modulation of the electronic environment and the intermolecular interactions, enabling detailed structure-property correlations. The characterization of substituent effects in the ultraviolet-visible-near infrared region (300-2500 nm) revealed significant substituent effects on transmittance, absorbance, reflectance, refractive index, and extinction coefficient. Tauc analysis with comparative fitting support suggested that allowed transitions were predominantly indirect with a narrowing of the optical band gap between 3.54 and 3.33 eV as substituent electron richness increased, which is consistent with increased it-electron delocalization and intramolecular charge transfer. Thermally activated semiconducting behavior was confirmed by electrical measurements, with activation energies of between 0.77 eV and 0.64 eV. Compound 4d had better absorption and charge transport, suitable to use in applications where a strong interaction between light and matter is required (e.g., photovoltaics and photodetectors), whereas more transparent films (4a and 4c) would be better applied in transparent optoelectronic aplications. Such findings illustrate that substituent engineering is an efficient approach to engineering the properties of organic semiconductors to suit particular photonic and optoelectronic applications.

Introducing rhenium (Re) into inorganic semiconductor compounds offers an effective approach to enhancing their performance in green energy and optoelectronic applications. A detailed understanding of this mechanism is essential for tuning the intrinsic properties of such materials. In this work, we synthesized and characterized both simple and complex inorganic compound in pellet and thin-film forms, systematically examining the effects of varying dopant levels on structural, optical, and electrical properties. The materials were analyzed using X-ray diffraction (XRD), scanning and transmission electron microscopy (SEM, TEM), X-ray photoelectron spectroscopy (XPS), impedance spectroscopy (IS), and UV–visible spectroscopy. XRD confirmed the anatase phase for all samples, with higher Re concentrations slightly reducing crystallite size while improving homogeneity and densification. XPS revealed the formation of Ti3+ states and oxygen vacancies, which are critical in modifying the electronic structure and facilitating charge transport. Impedance measurements demonstrated semiconducting behavior, with decreasing resistance at elevated temperatures, consistent with thermally activated conduction. Optical characterization showed a redshift in the absorption edge and a decrease in the bandgap from 3.10 eV (undoped) to 2.80 eV (4% Re-doped), attributed to defect-induced intermediate states and impurity bands. Additionally, the films exhibited a high dielectric constant and non-Debye relaxation behavior, reflecting a distribution of relaxation times due to grain boundaries and intrinsic defects. Overall, this study highlights how controlled addition of Re can effectively tailor the structural, optical, and electrical characteristics of providing valuable guidance for its implementation in advanced energy storage, photocatalysis, and optoelectronic devices.

Graphene oxide (GO) and indium sulfide (In2S3) were combined to form pressed pellets. GO content in In2S3 was taken with a ratio of 0, 5, 3 and 4

With the growing threat of organic pollutants in water bodies, there is an urgent need for sustainable and efficient water decontamination methods. This research focused on synthesizing a novel Z-scheme ternary heterostructure composed of graphene oxide (GO)-mediated polyaniline (PANI) with alpha-Fe2O3 and investigated its potential in brilliant green (BrG) and ciprofloxacin (CIP) degradation tests under visible light. The ternary composite demonstrated exceptional photocatalytic activity, with the optimized 10%PANI/GO/alpha-Fe2O3 (10PGF) photocatalyst achieving 99.8% degradation of BrG in 25 min and 93% degradation of CIP in 90 min of irradiation. The 10PGF composite achieved rate constants of 0.222 min-1 for BrG and 0.0295 min-1 for CIP. The rate constant for BrG degradation was 15 and 10 times faster than that for PANI and alpha-Fe2O3, respectively, while CIP was degraded 8.9 and 6.1 times faster. The degradation of the pollutants was facilitated by both O2(center dot)- and (OH)-O-center dot, as confirmed by capturing active species, a nitroblue tetrazolium test and use of a PL terephthalic acid probe. The proposed Z-scheme mechanism elucidated charge carrier movements and active species involvement, revealing the enhanced photocatalytic performance of the ternary composite. The 10PGF ternary composite demonstrated exceptional recyclability over five repeated cycles, with XRD analysis confirming no structural changes in the material. Moreover, adsorption studies were also performed, which showed a strong correlation (R2 = 0.974) with Langmuir isotherms and that pseudo-second order kinetics was followed.

The design of high-performance advanced materials for green energy nanotechnology is vital for progress in cutting-edge domains such as environmental sustainability and energy conversion technologies. In this study, we report the synthesis and characterization of undoped and vanadium-doped titanium dioxide (TiO2) in both pellet and thin film forms. The influence of vanadium doping levels on the material's physical and electrical properties was systematically investigated. Structural, morphological, compositional, electrical, and optical analyses were performed using X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), impedance spectroscopy (IS) (for pellets) and UV-visible spectroscopy (for films). XRD results confirmed that all samples were polycrystalline in the anatase phase, while increasing vanadium content reduced crystallite size and enhanced density. While the elemental composition remained relatively stable, XPS data showed the formation of Ti3+ states and oxygen vacancies, which play a pivotal role in modifying electronic behavior. Impedance spectroscopy indicated semiconducting behavior, with resistance decreasing as temperature increased, reflecting enhanced conductivity. Optical studies (UV-vis spectroscopy) showed a redshift in the absorption edge toward the visible region, with a reduction in bandgap energy from 3.20 eV (undoped) to 2.85 eV (6% V-doped), attributed to localized states and the formation of impurity bands. Electrical measurements showed enhanced conductivity with temperature and a clear transition to non-Debye behavior, reflecting a distribution of relaxation times likely due to grain boundaries and defect states. Notably, the dielectric constant was significantly elevated, supporting potential use in energy storage or solar energy applications. This work provides key insights into tailoring TiO2-based materials through metal doping for sustainable energy storage.

Thin-film-based solar cell research is a critical focus for materials scientists due to its rapid growth as a sustainable energy solution. Indium sulfide (In2S3) has emerged as a promising material in the development of CdTe-based photovoltaic devices. In2S3; an inorganic two-dimensional semiconductor, has attracted significant interest for its potential in thin-film photovoltaics, photoelectrochemical cells, and other energy-related applications. Despite this growing interest, the commercial form of In2S3 remains under characterized. In this study, we systematically investigate the physical characteristics of graphene oxide (GO) incorporated into powdered β-phase In2S3. The samples were analyzed using X-ray diffraction (XRD) analysis, X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and impedance spectroscopy (IS). XRD analysis confirmed that all samples were polycrystalline and crystallized in the tetragonal β-phase, with a reduction in crystalline size as the GO content increased. XPS analysis indicated the formation of oxygen vacancies without significant changes in elemental composition. TEM images showed that GO was well dispersed across the surface of In2S3, resulting in a reduced particle size. Electrical characteristics, measured via impedance spectroscopy, showed semiconducting behavior with a decrease in resistance as temperature increased, indicating enhanced conductivity. The results suggest that GO-doped In2S3 pellets could serve as promising materials for photovoltaic systems, especially as optical windows in solar cells. The study offers valuable insights into the role of GO in modulating the properties of In2S3 and highlights its potential for optimizing materials used in solar applications.

A highly effective and unique AgBr-NiO binary heterojunction was developed using an effective one-pot sol-gel method. The physicochemical properties of the produced materials were carefully examined using analytical techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray (EDX) analysis, transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET), ultraviolet-visible diffuse reflectance spectroscopy (UV-vis-DRS), Fourier transform infrared spectroscopy (FTIR), and photoluminescence (PL). The mesoporous nature and high surface properties of AgBr-NiO were revealed by the BET analysis. The AgBr-NiO composite showed greater photocatalytic degradation efficiency than bare AgBr and NiO when exposed to visible light for the colored anionic dye rhodamine B (RhB) and bisphenol A (BPA), a colorless endocrine-disrupting contaminant (EDC), resulting in high photocatalytic activity for the degradation of RhB (97.6% in 11 min) and BPA (85% in 120 min). Additionally, a notable decrease in TOC over time was observed under similar reaction conditions in the photo-mineralization examination of both model pollutants. Trapping tests were conducted to determine which reactive oxygen species (ROS) were involved in the degradation process. A plausible Z-scheme mechanism for this n-p heterojunction was proposed to explain the formation of e-/h+ pairs induced by visible light. The proposed work facilitates the development of a recyclable photocatalyst characterized by high biological activity and low toxicity.

Isatin derivatives were condensedby refluxing ethanol with thiazolobenzimidazole, yielding four linked 2-oxoindolin-3-ylidene)benzo [4,5]imidazo-[2,1-b]thiazol-3(2H)-ones. Thermal evaporation was used to deposit thin films of the produced 2-oxoindolin-3-ylidene)benzo [4,5]imidazo-[2,1-b]thiazol-3(2H)-one derivatives, which underwent thorough analysis employing UV-Vis and NIR spectroscopy. The spectral profiles of these materials were scrutinized with respect to their absorption, dielectricconstants, and dispersion propertiesand compared to previously published data. The current samples were suitable for application in optoelectronic devices, particularly as solar-absorbent materials, due to their high absorption coefficient (alpha > 10(5)cm(-1)) at a solar maximum wavelength (lambda = 500 nm). Additionally, their band and optical gap energies have been determined as 3.60, 3.56, 2.53, and 3.24 eV. The conclusions drawn from geometry optimization and nonlinear optical (NLO) calculations, performed using density functional theory (DFT) with the Becke, 3-parameter, Lee-Yang-Parr (B3LYP) approach at the 6-311G (d,p) level, further support these findings.

TUD-1, a novel sponge-like three-dimensional mesoporous silica material, was synthesized in one-step using a hydrothermal technique and triethanolamine as a template. To enhance its acidic properties, the TUD-1 material underwent sulfonation with varying amounts of sulfonic groups (1 and 3 wt%). Structural characteristics were determined using XRD, FTIR, Raman, BET analysis, HRTEM, SEM, and XPS. Surface acidities of the catalysts were evaluated through non-aqueous potentiometric titration and FTIR analysis of chemisorbed pyridine. The performance of catalysts was assessed in various reactions, including the Pechmann reaction, Friedel-Crafts acylation reaction, and Biginelli reaction for synthesis of 7-hydroxy-4-methyl-2H-chromen-2-one, aromatic ketones and 3, 4-dihydropyrimidin-2(1H)-one. The findings confirm that the TUD-1 mesoporous structure did not undergo any significant alteration post sulfonation. The sulfonated catalysts exhibited higher surface acidities than TUD-1. A correlation between surface acidity, particularly Brönsted acid sites, and catalytic efficiency in selected reactions was evident from both catalytic testing and characterization. Under moderate conditions, TUD-1-3SO3H exhibited outstanding catalytic performance and remarkable reusability across all selected reactions.

Expression of Concern for 'Palladium supported on mixed-metal-organic framework (Co-Mn-MOF-74) for efficient catalytic oxidation of CO' by Reda S. Salama et al., RSC Adv., 2021, 11, 4318-4326, https://doi.org/10.1039/D0RA09970H.

This study presents a ternary heterostructure comprising graphene oxide (GO) decorated BiOI/CdS, as a highly effective candidate for both the photodegradation and adsorption of organic pollutants. The composite materials were synthesized through a facile solvothermal method. The structural and morphological characteristics of the synthesized materials were thoroughly analyzed using various analytical techniques. Photoluminescence (PL) spectral analysis of the photocatalysts emphasises the strong charge-carrier separations in ternary composites, which is the main requirement for enhancing degradation performances. The photocatalysts were utilized to remove the methylene blue (MB) and doxycycline (DC) from aqueous suspensions. The most effective ternary composite (GO/BiOI/CdS-x, x = 0.4 mmol CdS) resulted in 99.2% degradation of MB within 25 min and 83.7 % degradation of DC within 150 min of light exposure. Trapping experiments identified O2 center dot- and h+ as the most active species in pollutant degradation. A Z-scheme mechanism, supported by Mott-Schottky plots, VB-XPS spectra, and active species observations, was proposed to elucidate degradation processes. Additionally, the GO/BiOI/CdS-0.4 ternary composite demonstrated impressive adsorption ability for MB, indicating its robust pollutant removal capability. The composite also demonstrated remarkable stability and an impressive ability to be reused, positioning it as a highly promising material for use in wastewater treatment.