Journal of Physics and Chemistry of Solids最新文献

{"title":"Catalytic effect of TiF3 on hydrogenation and dehydrogenation of Mg-based hydrogen storage alloy prepared by milling","authors":"Wei Sun ,&nbsp;Xin Zhang ,&nbsp;Jun Li ,&nbsp;Zheng Cao ,&nbsp;Dianchen Feng ,&nbsp;Jun Peng ,&nbsp;Yan Qi ,&nbsp;Dongliang Zhao ,&nbsp;Yanghuan Zhang","doi":"10.1016/j.jpcs.2025.112626","DOIUrl":"10.1016/j.jpcs.2025.112626","url":null,"abstract":"<div><div>Transition metals or their derivatives are effective catalysts for enhancing the properties of Mg-based hydrogen storage materials. This study focuses on the Ce₅Mg₈₅Ni₁₀+<em>x</em> wt.%TiF₃ (<em>x</em> = 0–7) (Ce₅Mg₈₅Ni₁₀+<em>x</em>TiF₃ (<em>x</em> = 0–7)) composites fabricated by mechanical milling. Moreover, the additive TiF₃ can decrease the initial dehydrogenation temperature of MgH₂ and slightly ameliorate the thermodynamic property. Specifically, the alloy with 5 wt% TiF₃ exhibits the optimal activation performance and kinetics properties which can absorb 4 wt% hydrogen in 24 s at 473 K and desorb 3 wt% hydrogen in 168 s at 573 K. Because of its lowest apparent activation energy for hydrogen desorption (55.87 kJ/mol). Furthermore, the onset dehydrogenation temperature of the alloy with 5 wt% TiF₃ is about 530.4 K, which is believed to be associated with a decline in the thermal stability of magnesium hydride caused by the addition of TiF₃.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"201 ","pages":"Article 112626"},"PeriodicalIF":4.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Designing manganese-doped Bi/Bi2O2CO3 microspheres for improved visible-light-induced degradation","authors":"Yu Zhang,&nbsp;Yangang Sun,&nbsp;Luyao Pan,&nbsp;Zhaoxia Wen,&nbsp;Song Yao","doi":"10.1016/j.jpcs.2025.112625","DOIUrl":"10.1016/j.jpcs.2025.112625","url":null,"abstract":"<div><div>Manganese was doped on the microspheres of Bi self-doped Bi₂O₂CO₃ (Bi/BOC) nanosheets by one-step hydrothermal method. A comprehensive analysis was performed on the crystal structure, morphology, electrochemical behavior, and light absorption characteristics of the samples. The photocatalytic activity of Bi/BOC-Mn2 showed notable improvement, leading to a substantial increase in the ciprofloxacin (CIP) degradation rate. Under visible light exposure, CIP degradation reached 93.43 %. The boost in photocatalytic performance arises from the enhanced separation of charge carriers and a broader spectrum of light absorption. Additionally, the photocatalytic mechanism of CIP was investigated through active material capture experiments, identifying superoxide radicals (<strong>•</strong>O₂⁻), electron e^– and holes (h⁺) as key reactive species. This study presents an innovative strategy for developing efficient photocatalysts to break down organic pollutants.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112625"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Achieving over 28 % efficiency in inorganic halide perovskite Ca3AsI3: Optimization of electron transport layers via DFT, SCAPS-1D, and machine learning","authors":"Md Sharif Uddin ,&nbsp;S.M Ashikur Rahman ,&nbsp;Md Azizur Rahman ,&nbsp;Sumon Mia ,&nbsp;Mohammed M. Rahman ,&nbsp;Moamen S. Refat","doi":"10.1016/j.jpcs.2025.112622","DOIUrl":"10.1016/j.jpcs.2025.112622","url":null,"abstract":"<div><div>Recent advancements in solar technology underscore the promise of Ca₃AsI₃, a novel cubic perovskite with remarkable physical properties, photovoltaic performance, and machine learning (ML)-assisted predictive potential. This study systematically explores the physical characteristics of Ca₃AsI₃ using density functional theory (DFT) calculations. Thermodynamic stability, phonon properties, and tolerance factor evaluations confirm the high stability of Ca₃AsI₃, which is further validated by mechanical analyses and elastic property calculations. The bandgap analysis reveals a direct bandgap of 1.41 eV at the Γ point, confirming the semiconducting nature of Ca₃AsI₃, further supported by Partial Density of States (PDOS) results. Optical investigations demonstrate strong absorption across the visible to ultraviolet spectrum, as shown by dielectric functions, absorption coefficients, and conductivity measurements. These findings collectively highlight the significant potential of Ca₃AsI₃ perovskite for advanced solar energy applications. The findings were integrated into the Solar Cell Capacitance Simulator in 1 Dimension (SCAPS-1D) to assess the photovoltaic (PV) performance of various electron transport layers (ETLs), including Zinc sulfide (ZnS), Indium (III) sulfide (In₂S₃), Titanium dioxide (TiO₂), and Tungsten disulfide (WS₂). Optimization analysis focused on key parameters such as absorber thickness, ETL thickness, defect density, acceptor density, and interface defect density at the ETL/Ca₃AsI₃ junction. Additionally, temperature effects, quantum efficiency (QE), and current density-voltage (J-V) characteristics were explored. Under ideal conditions, the Al/FTO/ETL (ZnS, In₂S₃, TiO₂, WS₂)/Ca₃AsI₃/Au structures demonstrated maximum efficiencies of 26.59 %, 19.70 %, 27.95 %, and 28.66 %, respectively, highlighting the promising potential of these configurations. Additionally, we applied a Ridge regressor-based ML model to predict the performance of Ca-perovskite solar cells (PSCs) with TiO₂ as the ETL. A dataset of 2187 data points from SCAPS-1D simulations was used, varying parameters such as absorber thickness, defect density, and TiO₂ properties. The model demonstrated high accuracy with an RMSE of 0.556 and an R-squared value of 0.6917, confirming its effectiveness in modeling Ca-PSC characteristics. These findings highlight the potential of Ca₃AsI₃ as a promising material for optoelectronic applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112622"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the structural, elastic, electronic, optical properties and thermoelectric properties of Na2XGaF6 (X = In, or Tl) double perovskite: DFT study","authors":"Gohar Ayub ,&nbsp;Nasir Rahman ,&nbsp;Mudasser Husain ,&nbsp;Wafa Mohammed Almalki ,&nbsp;Hind Albalawi ,&nbsp;Vineet Tirth ,&nbsp;Khamael M. Abualnaja ,&nbsp;Farooq Ali ,&nbsp;Rajwali Khan ,&nbsp;Mohammad Sohail","doi":"10.1016/j.jpcs.2025.112617","DOIUrl":"10.1016/j.jpcs.2025.112617","url":null,"abstract":"<div><div>Double perovskites exhibit considerable potential for optoelectronic and thermoelectric applications, positioning them as strong contenders for efficient and reliable renewable energy systems. Our study focuses on the cubic Na₂XGaF₆ (X = In or Tl) double perovskite using density functional theory (DFT). We utilize the GGA and mBJ methods to account for exchange-correlation effects, with GGA employed to determine the ground state energy and optimal structural parameters, highlighting the stability of Na₂XGaF₆ (X = In or Tl) through its formation energy, tolerance factor, and octahedral tilting. Mechanical property evaluations indicate the brittle nature of the material. The bandgaps of Na₂InGaF₆ and Na₂TlGaF₆ double perovskites are found to be 2.6 eV and 5.84 eV, respectively, using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential for band structure and optical property analysis. Optical property assessments reveal significant polarization in the UV and visible spectrum, suggesting Na₂XGaF₆ as a promising candidate for photovoltaic applications. The thermoelectric performance of Na₂XGaF₆ (X = In, Tl) was evaluated using Boltzmann transport theory. Both compounds showed increasing electrical conductivity and power factor with temperature, while ZT slightly decreased. Na₂TlGaF₆ exhibited better thermal stability, making it more suitable for high-temperature thermoelectric applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112617"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ginkgo leaf nanoarchitectonics-derived carbon materials containing ultrathin carbon nanosheets for high-performance symmetric supercapacitors","authors":"Lihua Zhang ,&nbsp;Xiaoyang Cheng ,&nbsp;Lingyan Li ,&nbsp;Hao Wu ,&nbsp;Jinfeng Zheng ,&nbsp;Jingwei Li ,&nbsp;Ting Yi","doi":"10.1016/j.jpcs.2025.112624","DOIUrl":"10.1016/j.jpcs.2025.112624","url":null,"abstract":"<div><div>The carbon material derived from ginkgo leaves is composed of stacked ultra-thin carbon nanosheets. To this end, carbon materials containing ultra-thin carbon nanosheets were prepared by using ginkgo leaf as a carbon source and KCl as a stripping agent. The study found that the formation of ultra-thin carbon nanosheets depends on the structure of the biomass, and only Cl⁻ in KCl produces a stripping effect, independent of K⁺. The composition and structure of carbon materials are closely related to the mass of KCl, and different KCl mass can make carbon materials have different specific surface area and heteroatom content. When 12 g KCl was added, the prepared GCK-12 had the highest heteroatom content and medium specific surface area. Electrochemical test results show that the electrochemical performance of KCl-modified carbon materials is higher than that of unmodified carbon materials, indicating that ultra-thin carbon nanosheets provide more active sites for electrodes. Among them, GCK-12 has the best electrochemical performance, and the specific capacitance is 240 F g⁻¹ when the current density is 1 A g⁻¹. Above or below 12 g, the specific capacitance will be reduced. The symmetric supercapacitors assembled with GCK-12 have an energy density of up to 15 Wh kg⁻¹, which is superior to previously reported biomass carbon materials. By analyzing the relationship between the structure and electrochemical performance of GCK-12, it can be seen that increasing the heteroatom content is more beneficial to improve the electrochemical performance than increasing the specific surface area. This work not only provides a new method for the preparation of ultra-thin carbon nanosheets, but also provides a new idea for the design and synthesis of high-performance carbon materials.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112624"},"PeriodicalIF":4.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles calculations to investigate structural, electronic, mechanical, optical, vibrational, thermal properties, and hydrogen storage capabilities of Rb2SnH4 for hydrogen storage applications","authors":"Cengiz Soykan ,&nbsp;Cihan Kürkçü","doi":"10.1016/j.jpcs.2025.112618","DOIUrl":"10.1016/j.jpcs.2025.112618","url":null,"abstract":"<div><div>The structural, electronic, mechanical, optical, vibrational, and thermal properties of tetragonal Rb₂SnH₄ belonging to the space group <em>P</em>4₂/<em>mnm</em> as a hydrogen storage material, were meticulously examined using the ab initio method. The gravimetric hydrogen densities were determined as 2.77 wt%. The hydrogen desorption temperatures were measured at 29.05 K for Rb₂SnH₄. Electronic band structure computations yielded band gap values of 0.455 eV. The elevated band gap values indicate that Rb₂SnH₄ possesses semiconductor properties. The values of the second-order independent elastic constants, which indicate the hardness and mechanical stability of the materials, were computed. The values of the elastic constants indicated that Rb₂SnH₄ exhibits mechanical stability. Hardness characteristics, including bulk modulus, shear modulus, B/G ratio, Young's modulus, and Poisson's ratio, were computed utilizing the values of elastic constants. Based on the B/G ratio (1.764), Rb₂SnH₄ was identified as ductile material. Based on Poisson's ratio (0.262), the atoms in Rb₂SnH₄ compounds are interconnected by ionic bonds. Besides, the vibrational properties were also analyzed, and Rb₂SnH₄ is also dynamically stable as it has no negative branches. Furthermore, several optical parameters of Rb₂SnH₄, including dielectric function, conductivity, reflectivity, and absorption, were computed. Finally, the thermo-physical characteristics of this compound were computed.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112618"},"PeriodicalIF":4.3,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical simulation study of lead-free perovskite solar cells using bifunctional molecule CBz-PAI as interfacial layer","authors":"Yuxing Gao ,&nbsp;Lei Sun ,&nbsp;Yanhua Zhang ,&nbsp;Le Chen ,&nbsp;Ruitao Zhang ,&nbsp;Sixuan Jia ,&nbsp;Yuanyue Mao ,&nbsp;Rui Zhu ,&nbsp;Cheng Peng ,&nbsp;Jiang Wu ,&nbsp;Runxin Tian ,&nbsp;Jiajun Wei","doi":"10.1016/j.jpcs.2025.112616","DOIUrl":"10.1016/j.jpcs.2025.112616","url":null,"abstract":"<div><div>The urgent demand for sustainable energy solutions has accelerated research into perovskite solar cells (PSCs), which are emerging as a promising alternative to conventional photovoltaics due to their high efficiency and cost-effectiveness. However, the widespread use of lead in most efficient PSCs presents serious environmental and health concerns, severely limiting their potential for large-scale industrial application. To address these challenges, this study proposes a lead-free tin-based PSC incorporating a bifunctional carbazole-based derivative, CBz-PAI, as an interfacial layer. The multifunctional properties of CBz-PAI enable it to effectively optimize interfacial energy level alignment, passivate defects, and improve charge transport. These effects were systematically analyzed using SCAPS-1D simulations, with additional evaluation of the device's thermal stability and performance under varying temperatures. The results demonstrate that the introduction of CBz-PAI significantly enhances device efficiency by reducing interfacial charge recombination and improving solar energy harvesting, achieving an impressive power conversion efficiency (PCE) of 29.33 %. Furthermore, the structure demonstrates excellent thermal stability, thus underscoring the viability of tin-based PSC as a lead-free alternative. This work underscores the potential of carbazole derivatives in advancing environmentally friendly PSC technologies and provides a foundation for future experimental and theoretical research into high-performance lead-free photovoltaics.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112616"},"PeriodicalIF":4.3,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tunnel structured Na0.54MnO2 nanorods synthesized at high-temperature: Cathode material for aqueous Na-ion batteries","authors":"Lazar Rakočević ,&nbsp;Dragana Jugović ,&nbsp;Miloš Milović ,&nbsp;Mirjana Novaković ,&nbsp;Aleksandra Popović ,&nbsp;Svetlana Štrbac ,&nbsp;Ivana Stojković Simatović","doi":"10.1016/j.jpcs.2025.112623","DOIUrl":"10.1016/j.jpcs.2025.112623","url":null,"abstract":"<div><div>The Na_0.54MnO₂ powder is synthesized by the glycine nitrate method followed by annealing at 950 °C. Its crystal structure resembles a 3d tunnel with rod-like shapes, with an average crystallite width of 130 nm and a length in the micron range. The electrochemical performance of the Na_0.54MnO₂ - based electrode is tested in a NaNO₃ solution. During potential cycling, the Na⁺ ions intercalation/deintercalation processes remain reversible, indicating good stability. For the current densities of 1000, 2000, and 5000 mA g⁻¹, the calculated specific capacities are 72.6, 66.8, and 57.5 mAh g⁻¹, respectively. Due to its suitable morphology for easy Na⁺ ions intercalation/deintercalation and good electrochemical performance, Na_0.54MnO₂ is a promising cathode material for aqueous Na-ion batteries.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112623"},"PeriodicalIF":4.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143351175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring electronic structure and charge transport in carbazole-based small donors: Bi-functional acceptor strategy for efficient bulk heterojunction organic solar cells","authors":"Javed Iqbal","doi":"10.1016/j.jpcs.2025.112612","DOIUrl":"10.1016/j.jpcs.2025.112612","url":null,"abstract":"<div><div>Organic solar cells (OSCs) featuring a bulk heterojunction active layer have received substantial attention in the academic and industrial communities due to their lightweight nature, high versatility, low cost, mechanical flexibility, compatibility, and transparency with solution-based fabrication. In this study, five small molecule-based donors (SMDs) with A–D–A structure, namely <strong>CTPT</strong>, <strong>CTPS</strong>, <strong>CTQTD</strong>, <strong>CTQT</strong>, and <strong>CTQDT</strong>, have been designed for OSCs. Using density functional theory (DFT) and time-dependent DFT (TD-DFT) simulations, the electronic and charge-transporting properties, absorption profile, stability, electronic excitation analyses, solubility, open-circuit voltage, and energy loss ability of engineered SMDs and a reference SMD (<strong>PCz(DPP)</strong>_{<strong>2</strong>}) are investigated. The results showed that the engineered SMDs have low bandgaps (1.73 to 2.25 eV), low energy losses (0.24 to 0.81 eV), high light-harvesting efficiency (0.0450 to 0.8095), high absorption (extending to the near-infrared (NIR) region), superior solubility (except <strong>CTQT</strong> SMD), and low exciton binding energy (except <strong>CTQT</strong> and <strong>CTQDT</strong> SMDs) with comparable stability than <strong>PCz(DPP)</strong>_{<strong>2</strong>} SMD. Analyses of the transition density matrix, hole electron distribution, and inter-fragment charge transfer demonstrated that engineered SMDs (except <strong>CTQT</strong> SMD) indicated effective transfer of excited electrons from the donor to the acceptor portions, stronger exciton dissociation, minimal recombination losses, and high charge transfer compared to the <strong>PCz(DPP)</strong>_{<strong>2</strong>} SMD. Moreover, the results of hole hopping rate (3.023 × 10¹³ to 7.172 × 10¹⁴ s⁻¹), total amount of charge transfer (2.15 to 2.71 e), hole transfer integral (0.0709 to 0.2883 eV), and hole reorganization energy (0.1443 to 0.1906 eV) indicated that the engineered SMDs exhibited high-charge transport properties for high-efficiency OSCs. Therefore, these newly tailored SMDs are expected to significantly enhance the performance of OSCs in the future.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112612"},"PeriodicalIF":4.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comprehensive review: Photodegradation of dyes with rare earth doped metal oxide nanoparticles for wastewater treatment","authors":"Himani Shukla ,&nbsp;Rajni Gautam ,&nbsp;Sushma ,&nbsp;Neeraj Kumari","doi":"10.1016/j.jpcs.2025.112593","DOIUrl":"10.1016/j.jpcs.2025.112593","url":null,"abstract":"<div><div>Photocatalytic degradation of organic dyes is one of the most important techniques to eliminate dyes from wastewater from industrial effluent. Since organic dyes are poisonous, carcinogenic, and resistant to standard treatment techniques, they pose a serious threat to human health and the environment. Their continued presence in aquatic environments endangers human health by lowering water quality and upsetting aquatic life. The technique of photodegradation of dyes has the potential to significantly improve wastewater treatment's sustainability, economy, and efficiency, which would be extremely beneficial to the environment and public health. This comprehensive review focuses on the applications of rare earth-doped metal oxide nanoparticles as highly effective photocatalysts for dye degradation under UV–visible light irradiation. Rare earth dopants enhance visible light absorption, improve charge separation, and facilitate the generation of reactive oxygen species that drive the oxidative degradation of dye molecules. Synthesis methods including sol-gel, hydrothermal, and plant-mediated approaches for producing rare earth-doped nanoparticles are outlined. Key factors affecting the efficiency of photodegradation, including pH levels, catalyst concentration, temperature, duration, and initial dye concentration, are analyzed. The review elucidates the mechanisms underlying the pathways of photocatalytic dye degradation facilitated by rare earth dopants. A comparative assessment underscores the superior performance of rare earth-doped nanoparticles over their non-doped counterparts across a diverse array of dyes. These nanoparticles present a promising and sustainable avenue for efficient wastewater treatment by enhancing the photocatalytic breakdown of organic dye pollutants. In the broader context of sustainable chemical production, rare earth-doped nanoparticles not only contribute to environmental protection but also align with green chemistry principles by reducing the need for harsh chemicals and minimizing energy consumption during catalytic processes. Furthermore, their potential for integration into larger-scale chemical production systems paves the way for innovative materials that can drive eco-friendly industrial processes. Lastly, prospects encompassing further refinement of nanoparticle structures, upscaling of production, and deeper insights into mechanisms are explored to advance rare earth-doped nanoparticles as sustainable and economically viable solutions for wastewater dye remediation and beyond, contributing to the circular economy and sustainable chemical production.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112593"},"PeriodicalIF":4.3,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}