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Keywords = lanthanum ions

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18 pages, 3402 KB  
Article
Gel Polymer Electrolyte Membranes via Slit-Coating Technology for High-Energy Lithium Batteries
by Pengzhen Chen, Xinghua Liang, Te Zheng, Lei Zhang, Jiajia Dong, Yangying Ou, Lingxiao Lan and Jianghua Wei
Gels 2026, 12(6), 534; https://doi.org/10.3390/gels12060534 (registering DOI) - 14 Jun 2026
Abstract
Liquid electrolytes in conventional lithium-ion batteries pose safety risks associated with flammability, leakage, and explosion, whereas solid polymer electrolytes are generally limited by insufficient ionic conductivity at ambient temperature, restricting the development of high-energy lithium batteries. To address these issues, flexible poly (vinylidene [...] Read more.
Liquid electrolytes in conventional lithium-ion batteries pose safety risks associated with flammability, leakage, and explosion, whereas solid polymer electrolytes are generally limited by insufficient ionic conductivity at ambient temperature, restricting the development of high-energy lithium batteries. To address these issues, flexible poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP)-based gel polymer electrolyte membranes (GPEs) were prepared via a slit-coating process combined with UV curing. NASICON-type lithium aluminum titanium phosphate (Li1.3Al0.3Ti1.7P3O12, LATP) and garnet-type tantalum-doped lithium lanthanum zirconate (Li6.4La3Zr1.4Ta0.6O12, LLZTO) were introduced as inorganic ceramic fillers to improve the ion-transport and interfacial properties of the GPE. Among the investigated samples, the PVDF-HFP-based GPE containing 10 wt% LLZTO exhibited the best overall performance, with an ionic conductivity of 3.40 × 10−4 S·cm−1 at ambient temperature and a Li+ transference number of 0.77. Cyclic voltammetry results showed that the LLZTO-modified electrolyte membrane exhibited sharper and more symmetric redox peaks, higher peak current response, and better curve overlap during repeated cycles, indicating improved electrochemical reversibility and interfacial stability. In addition, LLZTO incorporation enhanced the mechanical strength, broadened the electrochemical stability window, and improved the flame-retardant behavior of the membrane. The LiFePO4/GPE/Li cell assembled with the optimized membrane delivered an initial discharge capacity of 160 mAh·g−1 at 0.1 C and maintained 80 mAh·g−1 at 1 C, demonstrating good rate capability. Moreover, a capacity retention of 96% was maintained after 100 cycles at 0.1 C, confirming excellent cycling stability. Therefore, this work provides an effective strategy for the structural optimization and scalable preparation of high-performance gel polymer electrolyte membranes for lithium battery applications. Full article
(This article belongs to the Special Issue Gel Materials for Advanced Energy Systems and Flexible Devices)
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25 pages, 4931 KB  
Article
Research Progress in Lanthanum Extraction from Boehmite
by Ana-Cristiane Dragomir, Nicoleta Sorina Nemeş, Ionuţ Bălescu, Mihaela Ciopec, Adina Negrea, Narcis Duteanu, Cătălin Ianăşi, Orsina Verdes, Mariana Suba, Paula Svera, Petru Negrea, Gheorghe Dobra, Sorin Iliev, Lucian Cotet, Alina Boiangiu and Laurentiu Filipescu
Processes 2026, 14(11), 1674; https://doi.org/10.3390/pr14111674 - 22 May 2026
Viewed by 516
Abstract
The purpose of this study was to examine the utilization of 0–45 μm aluminum hydrate fraction (gibbsite) manufactured by Alum SA Tulcea, as a precursor in the hydrothermal synthesis process of nanosize boehmite from gibbsite suspensions. Furthermore, the use of the produced material [...] Read more.
The purpose of this study was to examine the utilization of 0–45 μm aluminum hydrate fraction (gibbsite) manufactured by Alum SA Tulcea, as a precursor in the hydrothermal synthesis process of nanosize boehmite from gibbsite suspensions. Furthermore, the use of the produced material as adsorbent of lanthanum (III) ions was investigated using aqueous solutions. Thermogravimetric analysis (TG), Fourier Transform InfraRed Spectroscopy (FT-IR), Wide-Angle X-Ray Scattering (WAXS), and atomic force microscopy (AFM) were used to demonstrate the preparation of the required material. Additionally, the material point of zero charge (pHpzc) and material specific surface (using BET approach) were evaluated. By conducting adsorption studies, the specific parameters for the lanthanum adsorption process were evaluated. The effects of pH, the ratio of adsorbent material to La(III) quantity from aqueous solution, contact time, and La(III) initial concentration were also assessed. Based on the obtained experimental data, it was proved that the maximum adsorption capacity of 97.7 mg/g was obtained for a solid:liquid ratio = 0.1 g:25 mL, pH between 3 and 6, temperature of 298 K, and contact time of 90 min. The studied adsorption process is most effectively described by the Sips model, suggesting an intricate interaction among the adsorbent material and La (III) ions. The prepared adsorbent exhibited a good desorption capacity (higher than 93%) when 20% HCl was used for desorption. Full article
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30 pages, 21369 KB  
Review
Lanthanide-Doped REVO4 (RE = Y, Gd, Lu, La) Phosphors: From Synthesis to Sensing Applications
by Dragana Marinković, Giancarlo C. Righini and Maurizio Ferrari
Sensors 2026, 26(9), 2660; https://doi.org/10.3390/s26092660 - 24 Apr 2026
Viewed by 790
Abstract
Rare-earth elements including the fifteen lanthanides, from lanthanum (La) to lutetium (Lu), together with scandium (Sc) and yttrium (Y), can act either as matrix cations or as active luminescent centers when incorporated into host lattices. Owing to their relatively large ionic radii, high [...] Read more.
Rare-earth elements including the fifteen lanthanides, from lanthanum (La) to lutetium (Lu), together with scandium (Sc) and yttrium (Y), can act either as matrix cations or as active luminescent centers when incorporated into host lattices. Owing to their relatively large ionic radii, high coordination numbers, and structural stability, ions such as La, Lu, Sc, Y, and gadolinium (Gd) typically serve as matrix cations in rare-earth vanadate (REVO4)-based phosphors, while other trivalent lanthanide (Ln3+) ions act as active luminescent centers. These REVO4 phosphors have proved to be good host lattices for optically active Ln3+ ions giving strong luminescence assigned to absorption of the vanadate (VO43−) groups, and the efficient energy transfer between host lattice and Ln3+ ions. The unique electronic configuration of Ln3+ ions, particularly their unpaired 4f electrons, makes them ideal for applications in luminescence, magnetism, electronic and magnetic relaxation, and catalysis. Due to their complementary luminescent characteristics, Ln3+-doped REVO4 phosphors have attracted significant attention in recent years. Their unique optical properties make them highly valuable across a broad spectrum of applications. This paper provides a comprehensive review of the state of the art in Ln3+ (Eu3+, Sm3+, Tm3+, Er3+, Ho3+, Tb3+, Nd3+, and Yb3+)-doped REVO4 (RE = Y, Gd, Lu, La) phosphors. It examines current synthesis approaches, alongside the development of advanced strategies, and explores structural characteristics, innovative designs, and luminescent behavior, including both downconversion and upconversion processes and sensing applications, of the Ln3+-doped REVO4 phosphors. Full article
(This article belongs to the Special Issue Feature Review Papers in Optical Sensors 2026)
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12 pages, 6818 KB  
Article
Fabrication of c-Axis-Oriented Lanthanum Silicate Oxyapatite Thin Films Using Polymer-Assisted Deposition: Effects of Al and Mg Doping on Microstructure
by Shigekazu Hidaka, Chikara Watanabe and Hisato Yasumatsu
Crystals 2026, 16(4), 277; https://doi.org/10.3390/cryst16040277 - 19 Apr 2026
Viewed by 384
Abstract
Lanthanum silicate oxyapatite (LSO) is a promising oxide ion conductor for low-temperature-operating electrochemical devices owing to its high ionic conductivity along the c-axis. However, the fabrication of thin films with controlled crystallographic orientation remains challenging. In this study, polymer-assisted deposition (PAD), a [...] Read more.
Lanthanum silicate oxyapatite (LSO) is a promising oxide ion conductor for low-temperature-operating electrochemical devices owing to its high ionic conductivity along the c-axis. However, the fabrication of thin films with controlled crystallographic orientation remains challenging. In this study, polymer-assisted deposition (PAD), a solution-based technique offering precise microstructural and compositional control, was employed to fabricate c-axis-oriented LSO thin films. The fabrication of undoped LSO and the effects of Al and Mg incorporation on its microstructure, orientation, and ionic conductivity were systematically investigated. Undoped LSO thin films crystallised with a preferential c-axis orientation in the annealing temperature range of 800 and 1100 °C, and scanning transmission electron microscopy observations revealed a highly crystalline, void-free microstructure. Upon annealing at 1200 °C, the undoped LSO exhibited columnar grains with anisotropic in-plane grain growth, whereas Al- or Mg-doped LSO suppressed anisotropic in-plane grain growth and retained an out-of-plane c-axis orientation. The undoped LSO showed higher in-plane ionic conductivity than the doped thin films, consistent with their distinct crystallographic orientations. These results demonstrate that PAD provides a viable pathway for tailoring the microstructure and the composition of LSO thin films, thereby facilitating their applications in solid oxide electrochemical devices. Full article
(This article belongs to the Special Issue Functional Thin Films: Growth, Characterization, and Applications)
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15 pages, 2961 KB  
Article
Lanthanum Nitrate Modification of Soybean Protein Activated Carbon for Enhanced Fluoride Adsorption
by Zhengnan Jiang, Guanyu Zhou, Wenchao Bu, Zhenhai Huang and Chunlin He
Separations 2026, 13(2), 59; https://doi.org/10.3390/separations13020059 - 7 Feb 2026
Viewed by 544
Abstract
Water with a high fluoride content poses a serious threat to both public health and the natural environment. To enhance fluoride ion removal efficiency, a modified activated carbon adsorbent (HPAC-La) was synthesized by impregnating soybean protein in a lanthanum nitrate solution, followed by [...] Read more.
Water with a high fluoride content poses a serious threat to both public health and the natural environment. To enhance fluoride ion removal efficiency, a modified activated carbon adsorbent (HPAC-La) was synthesized by impregnating soybean protein in a lanthanum nitrate solution, followed by freezing–drying and carbonization. The results confirmed that lanthanum nitrate modification significantly improved the adsorption performance. Under optimised experimental conditions (pH = 2.0, [F] = 300 mg·L−1, 12 h, 298 K), HPAC-La exhibited a maximum adsorption capacity for fluoride ions of 126.7 mg·L−1, significantly higher than that of unmodified HPAC (86.1 mg·L−1). The adsorption process followed the pseudo-second-order kinetic model and the Langmuir isotherm model, indicating monolayer chemisorption. The mechanism involves ion exchange via surface hydroxyl groups and fluoride coordination with La sites. This study proposes a method for developing highly efficient adsorbents for the treatment of fluoride-contaminated wastewater. Full article
(This article belongs to the Special Issue Adsorption Methods for Environmental Purification)
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15 pages, 2593 KB  
Article
Zirconium Phosphate Supported on Biochar for Effective Recovery of Rare Earth Elements from Tailwater: A Case Study of La3+
by Ning Zheng, Chenliang Peng, Xia Zhu, Weichang Kong and Yang Yang
Metals 2026, 16(1), 84; https://doi.org/10.3390/met16010084 - 13 Jan 2026
Cited by 1 | Viewed by 512
Abstract
The efficient recovery of rare earth elements (REEs) from low-concentration mine tailwater is crucial for resource sustainability. In this study, a novel composite adsorbent, sesame stalk biochar-supported zirconium phosphate (sBC/ZrP), was synthesized for the selective adsorption and recovery of La3+ as a [...] Read more.
The efficient recovery of rare earth elements (REEs) from low-concentration mine tailwater is crucial for resource sustainability. In this study, a novel composite adsorbent, sesame stalk biochar-supported zirconium phosphate (sBC/ZrP), was synthesized for the selective adsorption and recovery of La3+ as a representative REE. The material was characterized using SEM-EDS, BET, XRD, FTIR, and XPS. Batch adsorption experiments were conducted to evaluate the effects of pH, coexisting ions, and the adsorption kinetics and thermodynamics. The results showed that sBC/ZrP exhibited a high adsorption capacity (up to 185.83 mg/g at 35 °C for 4 h) and strong selectivity for La3+, particularly in the presence of common competing cations, although Al3+ demonstrated significant interference. The adsorption process followed pseudo-second-order kinetics and the Langmuir isotherm model, indicating monolayer chemisorption, and was determined to be spontaneous and endothermic. The material maintained over 90% adsorption efficiency after five consecutive adsorption–desorption cycles. The mechanism primarily involved complexation of La3+ with the P-OH and Zr-O groups on the composite. This work demonstrates that sBC/ZrP is a highly efficient, stable, and reusable adsorbent with significant potential for the recovery of REEs from mining tailwater. Full article
(This article belongs to the Special Issue Advances in Recycling of Valuable Metals—2nd Edition)
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13 pages, 4656 KB  
Article
Experimental Study on the Performance of Light-Controlled Ion Drag Pump Based on PLZT Ceramic
by Yujuan Tang, Yujie Shi, Zhen Lv, Zihao Guo and Xinjie Wang
Micromachines 2026, 17(1), 45; https://doi.org/10.3390/mi17010045 - 29 Dec 2025
Viewed by 1050
Abstract
Light-controlled ion drag pumps have attracted considerable interest in soft robotics, biomedical engineering, and microelectromechanical systems (MEMS) due to their non-contact energy supply and high spatiotemporal controllability of light. However, experimental studies on their pumping performance and influencing factors remain limited. This study [...] Read more.
Light-controlled ion drag pumps have attracted considerable interest in soft robotics, biomedical engineering, and microelectromechanical systems (MEMS) due to their non-contact energy supply and high spatiotemporal controllability of light. However, experimental studies on their pumping performance and influencing factors remain limited. This study integrates the photoelectric effect with field emission phenomena to design and fabricate a light-controlled ion drag pump using lanthanum-modified lead zirconate titanate (PLZT) ceramic. The light-controlled pump enables non-contact energy transfer and fluid transport via high-energy laser irradiation. A series of experiments systematically investigate its pumping performance and key influencing factors. Results indicate that optimizing electrode structure and fluid channel design, along with increased light intensity, significantly enhances pumping performance. This work provides fundamental design guidelines for the application of light-controlled ion drag pumps in microfluidics, flexible robotics, and microdevice thermal management. Full article
(This article belongs to the Special Issue MEMS/NEMS Devices and Applications, 3rd Edition)
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16 pages, 2189 KB  
Article
Deep Removal of Fluoride Ions from Spent Ternary Lithium-Ion Batteries Leachate Using Porous La@Zr Adsorbent
by Zaoming Chen, Fupeng Liu, Bin Liao, Tao Zhang, Feixiong Chen, Jie Wang, Chunfa Liao and Shengming Xu
Inorganics 2025, 13(11), 369; https://doi.org/10.3390/inorganics13110369 - 3 Nov 2025
Cited by 3 | Viewed by 1577
Abstract
Hydrometallurgy is currently the mainstream industrial process for recovering valuable components (nickel, cobalt, manganese, lithium, etc.) from spent ternary lithium-ion battery cathode materials. During the crushing of lithium batteries, cathode materials, anode materials (graphite), and electrolytes become mixed. Consequently, fluoride ions inevitably enter [...] Read more.
Hydrometallurgy is currently the mainstream industrial process for recovering valuable components (nickel, cobalt, manganese, lithium, etc.) from spent ternary lithium-ion battery cathode materials. During the crushing of lithium batteries, cathode materials, anode materials (graphite), and electrolytes become mixed. Consequently, fluoride ions inevitably enter the leaching solution during the hydrometallurgical recycling process, with concentrations as high as 100–300 mg/L. These fluoride ions not only adversely affect the quality of the recovered precursor products but also pose environmental risks. To address this issue, this study employs a synthesized lanthanum–zirconium (La@Zr) composite material, with a specific surface area of 67.41 m2/g and a pore size of 2–50 nm, which can reduce the fluoride ion concentration in the leaching solution to below 5 mg/L, significantly lower than the 20 mg/L or higher that is typically achieved with traditional calcium salt defluorination processes, without introducing new impurities. Under optimal adsorption conditions, the lanthanum–zirconium adsorbent exhibits a fluoride ion adsorption capacity of 193.4 mg/g in the leaching solution, surpassing that of many existing metal-based adsorbents. At the same time as the valuable metals, Li, Ni, and Co, are basically not adsorbed, the selective adsorption of fluoride ions can be achieved. Adsorption isotherm studies indicate that the adsorption process follows the Langmuir model, suggesting monolayer adsorption. The secondary adsorption process is primarily governed by chemical adsorption, and elevated temperatures facilitate the removal of fluoride ions. Kinetic studies demonstrate that the adsorption process is well described by the pseudo-second-order model. After desorption and regeneration with NaOH solution, the adsorbent still has a favorable fluoride removal performance, and the adsorption rate of fluoride ions can still reach 95% after four cycles of use. With its high capacity, rapid kinetics, and excellent selectivity, the adsorbent is highly promising for large-scale implementation. Full article
(This article belongs to the Special Issue Novel Materials in Li–Ion Batteries, 2nd Edition)
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15 pages, 2143 KB  
Article
Inhibition of Photosynthesis in Quercus acutissima Seedlings by LaCl3 Through Calcium Signaling Regulation
by Xiaohang Weng, Hui Li, Yongbin Zhou, Hongbo Wang, Jian Feng, Shihe Yu and Ying Zheng
Forests 2025, 16(10), 1553; https://doi.org/10.3390/f16101553 - 8 Oct 2025
Viewed by 705
Abstract
Calcium is an essential macronutrient for plant growth and development, and there is an optimal calcium concentration for plant growth. Calcium ion concentration changes create “calcium signals” that regulate plant growth through perception, decoding, transduction, and response processes. However, the mechanisms by which [...] Read more.
Calcium is an essential macronutrient for plant growth and development, and there is an optimal calcium concentration for plant growth. Calcium ion concentration changes create “calcium signals” that regulate plant growth through perception, decoding, transduction, and response processes. However, the mechanisms by which calcium signaling regulates photosynthesis are still not fully understood. In this study, Quercus acutissima seedlings were used to investigate the inhibitory effects of different concentrations of the calcium channel blocker lanthanum chloride (LaCl3) on photosynthesis and the underlying mechanisms. The results show that increasing LaCl3 concentration significantly decreased photosynthetic parameters, photosynthetic pigment contents, and photosynthetic product accumulation. Long-term water use efficiency decreased with increasing LaCl3 concentration, while instantaneous water use efficiency initially increased and then decreased. Structural equation modeling analysis indicated that LaCl3 concentration was significantly positively correlated with leaf calcium concentration in Quercus acutissima seedlings, while it was significantly negatively correlated with stomatal conductance, carotenoids, and soluble sugar content. The study concludes that LaCl3 directly inhibits the photosynthetic physiological processes of Quercus acutissima seedlings by blocking calcium signaling, providing insights into the regulatory mechanisms of calcium signaling in plant photosynthesis and a theoretical basis for the cultivation and application of Quercus acutissima under varying environmental conditions. Full article
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19 pages, 4494 KB  
Review
Effect of Lanthanum-Cerium Rare Earth Elements on Steel at Atomic Scale: A Review
by Yuhang Liu, Jianguo Zhi, Ziyu Lyu, Chao Gu, Wangcai Diao, Zhibo Qu and Yanping Bao
Metals 2025, 15(9), 993; https://doi.org/10.3390/met15090993 - 8 Sep 2025
Cited by 2 | Viewed by 2564
Abstract
Lanthanum-cerium rare earth (RE) elements play a vital role in metallurgy as essential microalloying elements. Their addition significantly modifies inclusion characteristics, enhances mechanical properties, and improves corrosion resistance. This review emphasizes the distinct and synergistic roles of lanthanum (La) and cerium (Ce) in [...] Read more.
Lanthanum-cerium rare earth (RE) elements play a vital role in metallurgy as essential microalloying elements. Their addition significantly modifies inclusion characteristics, enhances mechanical properties, and improves corrosion resistance. This review emphasizes the distinct and synergistic roles of lanthanum (La) and cerium (Ce) in steel at the atomic scale, elucidated through first-principles calculations based on density-functional theory (DFT). The primary focus includes the nucleation mechanisms and characteristics of rare earth inclusions, the solid solution and segregation behavior of rare earth atoms, and their microalloying effects on electronic structure and interfacial bonding. Although both elements form stable inclusions Re2O3 and ReAlO3 and exhibit grain refinement effects, Ce exhibits a unique dual valence state (Ce3+/Ce4+). This results in nucleation behavior and oxide stability for Ce ions that differ slightly from those of La. Both elements alter the electronic structure of the Fe matrix through hybridization with d-orbitals, reducing magnetic moment and enhancing toughness. Compared to other alloying elements, La and Ce exhibit unique behaviors due to their large atomic radii and high chemical reactivity, which influence their solid solubility, segregation tendencies, and interactions with other atoms such as Cr, C, and N. Finally, this paper discusses the challenges that exist when first-principles computational methods are used to study the mechanism of action of RE elements in steel, and proposes measures and methods to address these challenges, aiming to provide an in-depth understanding of the mechanism of action of REs in steel at the microscopic level and to promote the application of computational chemistry in the field of metallurgy. Full article
(This article belongs to the Section Computation and Simulation on Metals)
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18 pages, 9643 KB  
Article
Study on the Performance and Mechanism of Separating La from Light Rare Earth Elements Using Single-Column Method with a New Type of Silica-Based Phosphate-Functionalized Resin
by Ming Huang, Shunyan Ning, Juan Liu, Lifeng Chen, Mohammed F. Hamza and Yuezhou Wei
Inorganics 2025, 13(9), 296; https://doi.org/10.3390/inorganics13090296 - 1 Sep 2025
Viewed by 1988
Abstract
This work develops a novel phosphate-functionalized extraction resin (HEHEHP + Cyanex272)/SiO2-P via the vacuum impregnation method for efficient separation of light rare earth element impurities from lanthanum (La3+) in nitric medium through synergistic extraction. Batch experiments have demonstrated superior [...] Read more.
This work develops a novel phosphate-functionalized extraction resin (HEHEHP + Cyanex272)/SiO2-P via the vacuum impregnation method for efficient separation of light rare earth element impurities from lanthanum (La3+) in nitric medium through synergistic extraction. Batch experiments have demonstrated superior adsorption selectivity toward impurity ions over La3+ in a pH 4 nitric acid solution. Column studies confirmed exceptional performance under ambient conditions, achieving a lanthanum treatment capacity of 120.6 mg/g and over 98% impurity removal, which surpasses most reported values. Notably, this purification process enables direct production of purified La3+ solutions through a single-column system without desorption, significantly enhancing efficiency and reducing costs. Mechanistic insights revealed combined ion exchange and coordination interactions between metal ions and P-OH/P=O groups, corroborated by advanced characterization and density functional theory calculations. These findings indicate a higher binding affinity of light rare earth compared with La3+. This strategy provides a scalable approach for ultra-high-purity lanthanum compound production in advanced optical and electronic applications. Full article
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32 pages, 7676 KB  
Article
The Spectroscopic Characterization and Photophysical Properties of a Hydrated Lanthanum Ion Complex with a Triazole Ligand by Several DFT Methods
by M. Alcolea Palafox, Lozan T. Todorov, Nataliya P. Belskaya, Javier Álvarez-Conde, Diana Díaz-García, Santiago Gómez-Ruiz and Irena P. Kostova
Molecules 2025, 30(16), 3412; https://doi.org/10.3390/molecules30163412 - 18 Aug 2025
Cited by 1 | Viewed by 1438
Abstract
The experimental IR and Raman vibrational spectra of a hydrated La(III) complex with a 1,2,3-triazole ligand were characterized by using four different Density Functional Theory (DFT) levels and two accurate scaling procedures. In the theoretical calculations, the hydration water in the experimental sample [...] Read more.
The experimental IR and Raman vibrational spectra of a hydrated La(III) complex with a 1,2,3-triazole ligand were characterized by using four different Density Functional Theory (DFT) levels and two accurate scaling procedures. In the theoretical calculations, the hydration water in the experimental sample was considered under the Discrete Model (DM) with different numbers of explicit water molecules and different positions around the La(III) ion and the carboxylate groups. The predicted IR spectra at the M06-2X/Lanl2dz level appear to be the closest to the experimental ones. Based on the optimized structures, molecular properties and global chemical descriptors were also calculated, and the findings obtained are discussed in detail herein. Additionally, several photophysical properties were determined in both the free ligand and in several lanthanide complexes, and with the sample in the solid state and in DMSO solution. A blue shift in the fluorescence of the complexes was observed compared to the free ligand, as well as in the solid-state sample compared to the solution. Full article
(This article belongs to the Section Computational and Theoretical Chemistry)
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19 pages, 2474 KB  
Article
Unraveling the Role of Aluminum in Boosting Lithium-Ionic Conductivity of LLZO
by Md Mozammal Raju, Yi Ding and Qifeng Zhang
Electrochem 2025, 6(3), 29; https://doi.org/10.3390/electrochem6030029 - 4 Aug 2025
Cited by 2 | Viewed by 4046
Abstract
The development of high-performance solid electrolytes is critical to advancing solid-state lithium-ion batteries (SSBs), with lithium lanthanum zirconium oxide (LLZO) emerging as a leading candidate due to its chemical stability and wide electrochemical window. In this study, we systematically investigated the effects of [...] Read more.
The development of high-performance solid electrolytes is critical to advancing solid-state lithium-ion batteries (SSBs), with lithium lanthanum zirconium oxide (LLZO) emerging as a leading candidate due to its chemical stability and wide electrochemical window. In this study, we systematically investigated the effects of cation dopants, including aluminum (Al3+), tantalum (Ta5+), gallium (Ga3+), and rubidium (Rb+), on the structural, electronic, and ionic transport properties of LLZO using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. It appeared that, among all simulated results, Al-LLZO exhibits the highest ionic conductivity of 1.439 × 10−2 S/cm with reduced activation energy of 0.138 eV, driven by enhanced lithium vacancy concentrations and preserved cubic-phase stability. Ta-LLZO follows, with a conductivity of 7.12 × 10−3 S/cm, while Ga-LLZO and Rb-LLZO provide moderate conductivity of 3.73 × 10−3 S/cm and 3.32 × 10−3 S/cm, respectively. Charge density analysis reveals that Al and Ta dopants facilitate smoother lithium-ion migration by minimizing electrostatic barriers. Furthermore, Al-LLZO demonstrates low electronic conductivity (1.72 × 10−8 S/cm) and favorable binding energy, mitigating dendrite formation risks. Comparative evaluations of radial distribution functions (RDFs) and XRD patterns confirm the structural integrity of doped systems. Overall, Al emerges as the most effective and economically viable dopant, optimizing LLZO for scalable, durable, and high-conductivity solid-state batteries. Full article
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18 pages, 4344 KB  
Article
Lithium Lanthanum Titanate (LLTO) Solid Electrolyte with High Ionic Conductivity and Excellent Mechanical Properties Prepared by Aerodynamic Levitation Rapid Solidification
by Yidong Hu, Fan Yang, Jianguo Li and Qiaodan Hu
Crystals 2025, 15(8), 707; https://doi.org/10.3390/cryst15080707 - 31 Jul 2025
Cited by 4 | Viewed by 3043
Abstract
Lithium lanthanum titanate (LLTO) is a promising solid electrolyte for all-solid-state lithium-ion batteries (ASSLIBs), and its total conductivity is dramatically influenced by the ceramic microstructure. Here we report a novel aerodynamic levitation rapid solidification method to prepare dense LLTO ceramics with a dendrite-like [...] Read more.
Lithium lanthanum titanate (LLTO) is a promising solid electrolyte for all-solid-state lithium-ion batteries (ASSLIBs), and its total conductivity is dramatically influenced by the ceramic microstructure. Here we report a novel aerodynamic levitation rapid solidification method to prepare dense LLTO ceramics with a dendrite-like microstructure, which can be hardly obtained by conventional sintering. At optimal nominal lithium content and cooling rate, the solidified LLTO ceramic achieved a high total conductivity of 2.5 × 10−4 S·cm−1 at room temperature, along with excellent mechanical properties such as a high Young’s modulus of 240 GPa and a high hardness of 16.7 GPa. Results from this work suggest that aerodynamic levitation rapid solidification is an effective processing method to manipulate the microstructure of LLTO ceramics to minimize the GBs’ contribution to the total conductivity, which may be expanded to prepare other oxide-type lithium electrolytes. Full article
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15 pages, 7165 KB  
Article
Structural and Performance Studies of Lanthanum–Nitrogen Co-Doped Titanium Dioxide Thin Films Under UV Aging
by Pengcheng Cao, Li Zhang and Yanbo Yuan
Micromachines 2025, 16(8), 842; https://doi.org/10.3390/mi16080842 - 23 Jul 2025
Cited by 1 | Viewed by 1361
Abstract
In this study, lanthanum–nitrogen co-doped titanium dioxide (La-N-TiO2) thin films were fabricated using Ion Beam Assisted Deposition (IBAD) and subjected to accelerated ultraviolet (UV) aging experiments to systematically investigate the impact of co-doping on the films’ resistance to UV aging. X-ray [...] Read more.
In this study, lanthanum–nitrogen co-doped titanium dioxide (La-N-TiO2) thin films were fabricated using Ion Beam Assisted Deposition (IBAD) and subjected to accelerated ultraviolet (UV) aging experiments to systematically investigate the impact of co-doping on the films’ resistance to UV aging. X-ray diffraction (XRD) analysis revealed that La-N co-doping inhibits the phase transition from anatase to rutile, significantly enhancing the phase stability of the films. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) characterizations indicated that co-doping increased the density and surface uniformity of the films, thereby delaying the expansion of cracks and increase in roughness induced by UV exposure. Energy-dispersive X-ray spectroscopy (EDS) results confirmed the successful incorporation of La and N into the TiO2 lattice, enhancing the chemical stability of the films. Contact angle tests demonstrated that La-N co-doping markedly improved the hydrophobicity of the films, inhibiting the rapid decay of hydrophilicity during UV aging. After three years of UV aging, the co-doped films maintained high structural integrity and photocatalytic performance, exhibiting excellent resistance to UV aging. These findings offer new insights into the long-term stability of photovoltaic self-cleaning materials. Full article
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