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Search Results (643)

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Keywords = transition metal doping

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23 pages, 2805 KiB  
Review
Recent Developments in Self-Lubricating Thin-Film Coatings Deposited by a Sputtering Technique: A Critical Review of Their Synthesis, Properties, and Applications
by Sunil Kumar Tiwari, Turali Narayana, Rashi Tyagi, Gaurav Pant and Piyush Chandra Verma
Lubricants 2025, 13(8), 372; https://doi.org/10.3390/lubricants13080372 - 21 Aug 2025
Abstract
In response to the demand for advanced materials in extreme environments, researchers have developed a variety of bulk and thin-film materials. One of the best-known processes for altering the mechanical and tribological properties of materials is surface engineering techniques. These involve various approaches [...] Read more.
In response to the demand for advanced materials in extreme environments, researchers have developed a variety of bulk and thin-film materials. One of the best-known processes for altering the mechanical and tribological properties of materials is surface engineering techniques. These involve various approaches to synthesize thin-film coatings, along with post-deposition treatments. The need for self-lubricating materials in extreme situations such as high-temperature applications, cryogenic temperatures, and vacuum systems has attracted the attention of researchers. They have fabricated several types of thin films using CVD and PVD techniques to meet this demand. Among the various techniques used for fabricating self-lubricating coatings, sputtering stands out as a special one. It contributes to developing smooth, homogeneous, and crack-free dense microstructures, which further enhance the coatings’ properties. This review explains the need for self-lubricating materials and the different techniques used to synthesize them. It discusses and summarizes the concept of synthesizing various types of self-lubricating films. It shows the different types of self-lubricating material systems, like transition metal-based nitrides and carbides, diamond-like carbon-based materials, and so on. This work also reflects the governing factors like the deposition temperature, doping elements, thickness of the film, deposition pressure, gas flow rate, etc., that influence the deposition results and, consequently, the properties of the film, as well as their advanced applications in different areas. This work reflects the self-lubricating properties of different kinds of films exposed to various environments in terms of their coefficient of friction and wear rate, emphasizing how the friction coefficient affects the wear rate. Full article
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43 pages, 23033 KiB  
Review
MXene-Based Electrocatalysts for Water Splitting: Material Design, Surface Modulation, and Catalytic Performance
by Mohammad R. Thalji, Farzaneh Mahmoudi, Leonidas G. Bachas and Chinho Park
Int. J. Mol. Sci. 2025, 26(16), 8019; https://doi.org/10.3390/ijms26168019 - 19 Aug 2025
Viewed by 108
Abstract
Developing efficient and sustainable hydrogen production technologies is critical for advancing the global clean energy transition. This review highlights recent progress in the design, synthesis, and electrocatalytic applications of MXene-based materials for electrochemical water splitting. It discusses the fundamental mechanisms of the hydrogen [...] Read more.
Developing efficient and sustainable hydrogen production technologies is critical for advancing the global clean energy transition. This review highlights recent progress in the design, synthesis, and electrocatalytic applications of MXene-based materials for electrochemical water splitting. It discusses the fundamental mechanisms of the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), and the structure–function relationships that govern electrocatalytic behavior. Emphasis is placed on the intrinsic structural and surface properties of MXenes, such as their layered architecture and tunable surface chemistry, which render them promising candidates for electrocatalysis. Despite these advantages, several practical limitations hinder their full potential, including oxidation susceptibility, restacking, and a limited number of active sites. Several studies have addressed these challenges using diverse engineering strategies, such as heteroatom doping; surface functionalization; and constructing MXene-based composites with metal chalcogenides, oxides, phosphides, and conductive polymers. These modifications have significantly improved catalytic activity, charge transfer kinetics, and long-term operational stability under various electrochemical conditions. Finally, this review outlines key knowledge gaps and emerging research directions, including defect engineering, single-atom integration, and system-level design, to accelerate the development of MXene-based electrocatalysts for sustainable hydrogen production. Full article
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33 pages, 5982 KiB  
Review
Sol–Gel-Synthesized Metal Oxide Nanostructures: Advancements and Prospects for Spintronic Applications—A Comprehensive Review
by Kais Iben Nassar, Sílvia Soreto Teixeira and Manuel P. F. Graça
Gels 2025, 11(8), 657; https://doi.org/10.3390/gels11080657 - 19 Aug 2025
Viewed by 245
Abstract
Spintronics, an interdisciplinary field merging magnetism and electronics, has attracted considerable interest due to its potential to transform data storage, logic devices, and emerging quantum technologies. Among the materials explored for spintronic applications, metal oxide nanostructures synthesized via sol–gel methods offer a unique [...] Read more.
Spintronics, an interdisciplinary field merging magnetism and electronics, has attracted considerable interest due to its potential to transform data storage, logic devices, and emerging quantum technologies. Among the materials explored for spintronic applications, metal oxide nanostructures synthesized via sol–gel methods offer a unique combination of low-cost processing, structural tunability, and defect-mediated magnetic control. This comprehensive review presents a critical overview of recent advances in sol–gel-derived magnetic oxides, such as Co-doped ZnO, La1−xSrxMnO3, Fe3O4, NiFe2O4, and transition-metal-doped TiO2, with emphasis on synthesis strategies, the dopant distribution, and room-temperature ferromagnetic behavior. Key spintronic functionalities, including magnetoresistance, spin polarization, and magnetodielectric effects, are systematically examined. Importantly, this review differentiates itself from the prior literature by explicitly connecting sol–gel chemistry parameters to spin-dependent properties and by offering a comparative analysis of multiple oxide systems. Critical challenges such as phase purity, reproducibility, and defect control are also addressed. This paper concludes by outlining future research directions, including green synthesis, the integration with 2D materials, and machine-learning-assisted optimization. Overall, this work bridges sol–gel synthesis and spintronic material design, offering a roadmap for advancing next-generation oxide-based spintronic devices. Full article
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16 pages, 277 KiB  
Review
Manganese Nanoparticles for Heavy Metal Detection vs. Noble and Base Metal Nanoparticles; Prospects, Limitations, and Applications in Electroanalysis
by Vasiliki Keramari and Stella Girousi
Chemosensors 2025, 13(8), 313; https://doi.org/10.3390/chemosensors13080313 - 17 Aug 2025
Viewed by 306
Abstract
This review examines the emerging role of manganese-based nanoparticles (Mn-NPs) in detecting heavy metal pollutants in environmental matrices. Heavy metals such as cadmium, lead, zinc, and copper pose serious environmental and health concerns due to their tendency to persist in ecosystems and accumulate [...] Read more.
This review examines the emerging role of manganese-based nanoparticles (Mn-NPs) in detecting heavy metal pollutants in environmental matrices. Heavy metals such as cadmium, lead, zinc, and copper pose serious environmental and health concerns due to their tendency to persist in ecosystems and accumulate in living organisms. As a result, there is a growing need for reliable methods to detect and remove these pollutants. Manganese nanoparticles offer unique advantages that scientists could consider as replacing other metal nanoparticles, which may be more expensive or more toxic. The physicochemical properties of Mn-NPs—including their multiple oxidation states, magnetic susceptibility, catalytic capabilities, and semiconductor conductivity—enable the development of multi-modal sensing platforms with exceptional sensitivity and selectivity. While Mn-NPs exhibit inherently low electrical conductivity, strategies such as transition metal doping and the formation of composites with conductive materials have successfully addressed this limitation. Compared to noble metal nanoparticles (Au, Ag, Pd) and other base metal nanoparticles (Bi, Fe3O4), Mn-NPs demonstrate competitive performance without the drawbacks of high cost, complex synthesis, poor distribution control, or significant aggregation. Preliminary studies retrieved from the Scopus database highlight promising applications of manganese-based nanomaterials in electrochemical sensing of heavy metals, with recent developments showing detection limits in the sub-ppb range. Future research directions should focus on addressing challenges related to scalability, cost-effectiveness, and integration with existing water treatment infrastructure to accelerate the transition from laboratory findings to practical environmental applications. Full article
31 pages, 8890 KiB  
Review
Advancements in Non-Precious Metal Catalysts for High-Temperature Proton-Exchange Membrane Fuel Cells: A Comprehensive Review
by Naresh Narayanan, Balamurali Ravichandran, Indubala Emayavaramban, Huiyuan Liu and Huaneng Su
Catalysts 2025, 15(8), 775; https://doi.org/10.3390/catal15080775 - 14 Aug 2025
Viewed by 459
Abstract
High-Temperature Proton-Exchange Membrane Fuel Cells (HT-PEMFCs) represent a promising clean energy technology and are valued for their fuel flexibility and simplified balance of plant. Their commercialization, however, is critically hindered by the prohibitive cost and resource scarcity of platinum-group metal (PGM) catalysts. The [...] Read more.
High-Temperature Proton-Exchange Membrane Fuel Cells (HT-PEMFCs) represent a promising clean energy technology and are valued for their fuel flexibility and simplified balance of plant. Their commercialization, however, is critically hindered by the prohibitive cost and resource scarcity of platinum-group metal (PGM) catalysts. The challenge is amplified in the phosphoric acid (PA) electrolyte of HT-PEMFCs, where the severe anion poisoning of PGM active sites necessitates impractically high catalyst loadings. This review addresses the urgent need for cost-effective alternatives by providing a comprehensive assessment of recent advancements in non-precious metal (NPM) catalysts for the oxygen reduction reaction (ORR) in HT-PEMFCs. It systematically explores synthesis strategies and structure–performance relationships for emerging catalyst classes, including transition metal compounds, metal–nitrogen–carbon (M-N-C) materials, and metal-free heteroatom-doped carbons. A significant focus is placed on M-N-C catalysts, particularly those with atomically dispersed Fe-Nx active sites, which have emerged as the most viable replacements for platinum due to their high intrinsic activity and notable tolerance to phosphate poisoning. This review critically analyzes key challenges that impede practical application, such as the trade-off between catalyst activity and stability, mass transport limitations in thick electrodes, and long-term degradation in the harsh PA environment. Finally, it outlines future research directions, emphasizing the need for a synergistic approach that integrates computational modeling with advanced operando characterization to guide the rational design of durable, high-performance catalysts and electrode architectures, thereby accelerating the path to commercial viability for HT-PEMFC technology. Full article
(This article belongs to the Section Electrocatalysis)
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20 pages, 3618 KiB  
Article
Unraveling the Effect of Synthesis Temperature and Metal Doping on the Structural, Optical, and Photocatalytic Properties of g-C3N4 for Enhanced E. coli Photodisinfection and Self-Cleaning Surface Applications
by D. Fabio Mercado, Isabel Cristina Ortega Bedoya, Gloria Cristina Valencia and Ricardo A. Torres-Palma
Inorganics 2025, 13(8), 262; https://doi.org/10.3390/inorganics13080262 - 11 Aug 2025
Viewed by 182
Abstract
The development of efficient photocatalytic materials for waterborne pathogen inactivation and self-cleaning surfaces in biomedical applications remains a critical challenge due to the rising prevalence of antimicrobial-resistant bacteria. This study systematically investigates the structural, optical, and photocatalytic disinfection properties of graphitic carbon nitride [...] Read more.
The development of efficient photocatalytic materials for waterborne pathogen inactivation and self-cleaning surfaces in biomedical applications remains a critical challenge due to the rising prevalence of antimicrobial-resistant bacteria. This study systematically investigates the structural, optical, and photocatalytic disinfection properties of graphitic carbon nitride (g-C3N4) synthesized at variable temperatures (450–600 °C) and doped with transition metals (Mn, Co, Cu). Through FTIR and UV/Vis spectroscopy, we demonstrate that synthesis temperatures between 450 and 550 °C yield a well-ordered polymeric network with enhanced π-conjugation and charge separation, while 600 °C induces structural degradation. Metal doping with Mn and Co significantly enhances photocatalytic disinfection, achieving complete E. coli inactivation (6-log reduction) within 6 h via optimized reactive oxygen species (ROS) generation. The best material (g-C3N4 synthesized at 500 °C and doped with Mn) was integrated into sodium alginate hydrogel surfaces, demonstrating reusable self-cleaning functionality with sustained bactericidal activity (5.9-log CFU/mL reduction after five cycles). This work provides a roadmap for tailoring metal-doped g-C3N4 composites for practical antimicrobial applications, emphasizing the interplay between synthesis parameters, ROS dynamics, and real-world performance. Full article
(This article belongs to the Special Issue Transition Metal Catalysts: Design, Synthesis and Applications)
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9 pages, 2258 KiB  
Proceeding Paper
Transition Metal-Doped Cobalt Oxyhydroxide Catalysts with Enhanced Peroxymonosulfate Activation for Dye Decolorization
by Rina Yamamoto, Hideyuki Katsumata, Ikki Tateishi, Mai Furukawa and Satoshi Kaneco
Chem. Proc. 2025, 17(1), 8; https://doi.org/10.3390/chemproc2025017008 - 11 Aug 2025
Viewed by 224
Abstract
Sulfate radical-based advanced oxidation processes (AOPs) are effective for removing organic pollutants from wastewater. In this study, transition metal-doped cobalt oxyhydroxide (CoOOH) was synthesized as an efficient peroxymonosulfate (PMS) activator for the decolorization of rhodamine B. Doping CoOOH with transition metals enhanced its [...] Read more.
Sulfate radical-based advanced oxidation processes (AOPs) are effective for removing organic pollutants from wastewater. In this study, transition metal-doped cobalt oxyhydroxide (CoOOH) was synthesized as an efficient peroxymonosulfate (PMS) activator for the decolorization of rhodamine B. Doping CoOOH with transition metals enhanced its PMS activation performance compared with that of pure CoOOH. Notably, the reaction rate constant in the Ni-CoOOH/PMS system was approximately 4.3 times higher than that in the CoOOH/PMS system. The presence of multiple metals in the catalyst facilitated efficient Co2+/Co3+ redox cycling, resulting in improved PMS activation and more effective organic pollutant removal. This study highlights the potential of CoOOH-based materials for use in environmental remediation technologies utilizing PMS. Full article
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14 pages, 2413 KiB  
Article
Effect of Carbon and Nitrogen Concentrations on the Superconducting Properties of (NbMoTaW)1CxNy Carbonitride Films
by Gabriel Pristáš, Slavomír Gabáni, Petra Hviščová, Jozef Dobrovodský, Dmitry Albov, Maksym Lisnichuk, Oleksandr Onufriienko, Janina Zorych, František Lofaj and Karol Flachbart
Materials 2025, 18(16), 3732; https://doi.org/10.3390/ma18163732 - 8 Aug 2025
Viewed by 298
Abstract
We report about the effect of nitrogen and carbon concentration on the superconducting transition temperature TC of (NbMoTaW)1CxNy carbonitride films deposited using reactive DC magnetron sputtering. By measuring the temperature dependence of electrical resistance and magnetization of [...] Read more.
We report about the effect of nitrogen and carbon concentration on the superconducting transition temperature TC of (NbMoTaW)1CxNy carbonitride films deposited using reactive DC magnetron sputtering. By measuring the temperature dependence of electrical resistance and magnetization of these carbonitrides, with 0.20 ≤ x ≤ 1.17 and 0 ≤ y ≤ 0.73, we observe a TC enhancement that occurs especially at high (x ≥ 0.76) carbon concentrations, with the largest TC = 9.6 K observed in the over-doped fcc crystal structure with x = 1.17 and y = 0.41. The reason why the largest TC appears at high C concentrations is probably related to the lower atomic mass of carbon compared to nitrogen and to the increase in the electron–phonon interaction due to different bonding of carbon (compared to nitrogen) to the Nb-Mo-Ta-W metallic sublattice. However, for concentrations where y > 0.71 and x + y > 1.58, two structural phases begin to form. Additionally, the proximity to structural instability may play a role in the observed BC2 enhancement. Further measurements in a magnetic field show that the upper critical fields BC2 of (NbMoTaW)1CxNy carbonitrides provide BC2/BC2 < 2 T/K, which falls within the weak-coupling pair breaking limit. Full article
(This article belongs to the Special Issue High-Entropy Alloys: Synthesis, Characterization, and Applications)
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20 pages, 3979 KiB  
Review
Heteroatom Doping of Transition Metallic Compounds for Water Electrolysis
by Xiaoyan Zhang, Xueqing Pan, Xiaoyi Wu, Yufang Xie, Yin Yin and Xinchun Yang
Energies 2025, 18(16), 4223; https://doi.org/10.3390/en18164223 - 8 Aug 2025
Viewed by 244
Abstract
With high storage capacity and zero emissions, hydrogen energy stands as a favorable replacement for fossil fuels. Therefore, earth-abundant electrocatalysts have attracted significant research interest. Particularly, a heteroatom doping strategy demonstrated exceptional capability in precisely modulating the electronic structure of transition metal-based catalysts [...] Read more.
With high storage capacity and zero emissions, hydrogen energy stands as a favorable replacement for fossil fuels. Therefore, earth-abundant electrocatalysts have attracted significant research interest. Particularly, a heteroatom doping strategy demonstrated exceptional capability in precisely modulating the electronic structure of transition metal-based catalysts while optimizing their local coordination environments, thereby representing a new paradigm for intrinsic catalytic activity enhancement. This review provides a systematic overview of recent advances in heteroatom doping strategies for transition metal catalysts. It is particularly focused on elucidating the fundamental mechanisms through atom dopants, which can efficiently regulate electronic configurations and catalytic behavior. By comprehensively analyzing structure–activity relationships and underlying catalytic principles, this work will establish a framework for precise doping strategies to engineer high-performance electrocatalysts. Full article
(This article belongs to the Special Issue Catalytic Hydrogen Production and Hydrogen Energy Utilization)
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13 pages, 3182 KiB  
Article
Improved Electrochemical Performance Using Transition Metal Doped ZnNi/Carbon Nanotubes as Conductive Additive in Li/CFx Battery
by Fangmin Wang, Jiayin Li, Yuxin Zheng, Xue Dong, Yuzhen Zhao, Zemin He, Manni Li, Lei Lin, Danyang He, Zongcheng Miao, Haibo Zhang, Hua Tan and Jianfeng Huang
Catalysts 2025, 15(8), 758; https://doi.org/10.3390/catal15080758 - 8 Aug 2025
Viewed by 391
Abstract
Lithium/carbon fluoride (Li/CFx) batteries are promising for specialized applications due to their high theoretical capacity (>865 mAh·g−1) and energy density. However, their practical deployment is hindered by the intrinsically low conductivity of CFx and sluggish reaction kinetics. While [...] Read more.
Lithium/carbon fluoride (Li/CFx) batteries are promising for specialized applications due to their high theoretical capacity (>865 mAh·g−1) and energy density. However, their practical deployment is hindered by the intrinsically low conductivity of CFx and sluggish reaction kinetics. While conventional conductive additives improve electron transport, their physical mixing with active materials yields weak interfacial contacts and fails to catalytically facilitate C–F bond cleavage. To address these dual limitations, this study proposes a dual-functional conductive-catalytic additive strategy. We engineered zinc-nickel/carbon nanotube (ZnNi/CNT) composites modified with transition metal dopants (Fe, W, Cu) to integrate conductive networks with nanoscale-dispersed catalytic sites. Fe-doped ZnNi/CNT (ZnFeNiC) emerged as the optimal system, delivering a discharge plateau of 2.45 V and a specific capacity of 810.3 mAh·g−1 at 0.1 C. This performance is attributed to Fe-doping accelerates Li+ diffusion, and promotes reversible Ni redox transitions (Ni2+↔Ni0) that catalyze C–F bond dissociation. This work establishes a design paradigm for high-performance Li/CFx batteries, bridging the gap between conductive enhancement and catalytic activation. Full article
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14 pages, 6958 KiB  
Article
A pH-Responsive Liquid Crystal-Based Sensing Platform for the Detection of Biothiols
by Xianghao Meng, Ronghua Zhang, Xinfeng Dong, Zhongxing Wang and Li Yu
Chemosensors 2025, 13(8), 291; https://doi.org/10.3390/chemosensors13080291 - 6 Aug 2025
Viewed by 313
Abstract
Biothiols, including cysteine (Cys), homocysteine (Hcy), and glutathione (GSH), are crucial for physiological regulation and their imbalance poses severe health risks. Herein, we developed a pH-responsive liquid crystal (LC)-based sensing platform for detection of biothiols by doping 4-n-pentylbiphenyl-4-carboxylic acid (PBA) into [...] Read more.
Biothiols, including cysteine (Cys), homocysteine (Hcy), and glutathione (GSH), are crucial for physiological regulation and their imbalance poses severe health risks. Herein, we developed a pH-responsive liquid crystal (LC)-based sensing platform for detection of biothiols by doping 4-n-pentylbiphenyl-4-carboxylic acid (PBA) into 4-n-pentyl-4-cyanobiphenyl (5CB). Urease catalyzed urea hydrolysis to produce OH, triggering the deprotonation of PBA, thereby inducing a vertical alignment of LC molecules at the interface corresponding to dark optical appearances. Heavy metal ions (e.g., Hg2+) could inhibit urease activity, under which condition LC presents bright optical images and LC molecules maintain a state of tilted arrangement. However, biothiols competitively bind to Hg2+, the activity of urease is maintained which enables the occurrence of urea hydrolysis. This case triggers LC molecules to align in a vertical orientation, resulting in bright optical images. This pH-driven reorientation of LCs provides a visual readout (bright-to-dark transition) correlated with biothiol concentration. The detection limits of Cys/Hcy and GSH for the PBA-doped LC platform are 0.1 μM and 0.5 μM, respectively. Overall, this study provides a simple, label-free and low-cost strategy that has a broad application prospect for the detection of biothiols. Full article
(This article belongs to the Special Issue Feature Papers on Luminescent Sensing (Second Edition))
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17 pages, 2393 KiB  
Article
Impact of Cu-Site Dopants on Thermoelectric Power Factor for Famatinite (Cu3SbS4) Nanomaterials
by Jacob E. Daniel, Evan Watkins, Mitchel S. Jensen, Allen Benton, Apparao Rao, Sriparna Bhattacharya and Mary E. Anderson
Electron. Mater. 2025, 6(3), 10; https://doi.org/10.3390/electronicmat6030010 - 6 Aug 2025
Viewed by 307
Abstract
Famatinite (Cu3SbS4) is an earth-abundant, nontoxic material with potential for thermoelectric energy generation applications. Herein, rapid, energy-efficient, and facile one-pot modified polyol synthesis was utilized to produce gram-scale quantities of phase-pure famatinite (Cu2.7M0.3SbS4, [...] Read more.
Famatinite (Cu3SbS4) is an earth-abundant, nontoxic material with potential for thermoelectric energy generation applications. Herein, rapid, energy-efficient, and facile one-pot modified polyol synthesis was utilized to produce gram-scale quantities of phase-pure famatinite (Cu2.7M0.3SbS4, M = Cu, Zn, Mn) nanoparticles (diameter 20–30 nm) with controllable and stoichiometric incorporation of transition metal dopants on the Cu-site. To produce pellets for thermoelectric characterization, the densification process by spark plasma sintering was optimized for individual samples based on thermal stability determined using differential scanning calorimetry and thermogravimetric analysis. Electronic transport properties of undoped and doped famatinite nanoparticles were studied from 225–575 K, and the thermoelectric power factor was calculated. This is the first time electronic transport properties of famatinite doped with Zn or Mn have been studied. All famatinite samples had similar resistivities (>0.8 mΩ·m) in the measured temperature range. However, the Mn-doped famatinite nanomaterials exhibited a thermoelectric power factor of 10.3 mW·m−1·K−1 at 575 K, which represented a significant increase relative to the undoped nanomaterials and Zn-doped nanomaterials engendered by an elevated Seebeck coefficient of ~220 µV·K−1 at 575 K. Future investigations into optimizing the thermoelectric properties of Mn-doped famatinite nanomaterials are promising avenues of research for producing low-cost, environmentally friendly, high-performing thermoelectric materials. Full article
(This article belongs to the Special Issue Feature Papers of Electronic Materials—Third Edition)
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14 pages, 1527 KiB  
Article
The Effect of the Metal Impurities on the Stability, Chemical, and Sensing Properties of MoSe2 Surfaces
by Danil W. Boukhvalov, Murat K. Rakhimzhanov, Aigul Shongalova, Abay S. Serikkanov, Nikolay A. Chuchvaga and Vladimir Yu. Osipov
Surfaces 2025, 8(3), 56; https://doi.org/10.3390/surfaces8030056 - 5 Aug 2025
Cited by 1 | Viewed by 304
Abstract
In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe2 upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated [...] Read more.
In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe2 upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated the adsorption enthalpies for various representative analytes, including O2, H2, CO, CO2, H2O, NO2, formaldehyde, and ethanol, and further evaluated their free energies across a range of temperatures. By employing the formula for probabilities, we accounted for the competition among molecules for active adsorption sites during simultaneous adsorption events. Our findings underscore the importance of integrating temperature effects and competitive adsorption dynamics to predict the performance of highly selective sensors accurately. Additionally, we investigated the influence of temperature and analyte concentration on sensor performance by analyzing the saturation of active sites for specific scenarios using Langmuir sorption theory. Building on our calculated adsorption energies, we screened the catalytic potential of doped MoSe2 for CO2-to-methanol conversion reactions. This paper also examines the correlations between the electronic structure of active sites and their associated sensing and catalytic capabilities, offering insights that can inform the design of advanced materials for sensors and catalytic applications. Full article
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26 pages, 5007 KiB  
Article
Copper-Enhanced NiMo/TiO2 Catalysts for Bifunctional Green Hydrogen Production and Pharmaceutical Pollutant Removal
by Nicolás Alejandro Sacco, Fernanda Albana Marchesini, Ilaria Gamba and Gonzalo García
Catalysts 2025, 15(8), 737; https://doi.org/10.3390/catal15080737 - 1 Aug 2025
Viewed by 395
Abstract
This study presents the development of Cu-doped NiMo/TiO2 photoelectrocatalysts for simultaneous green hydrogen production and pharmaceutical pollutant removal under simulated solar irradiation. The catalysts were synthesized via wet impregnation (15 wt.% total metal loading with 0.6 wt.% Cu) and thermally treated at [...] Read more.
This study presents the development of Cu-doped NiMo/TiO2 photoelectrocatalysts for simultaneous green hydrogen production and pharmaceutical pollutant removal under simulated solar irradiation. The catalysts were synthesized via wet impregnation (15 wt.% total metal loading with 0.6 wt.% Cu) and thermally treated at 400 °C and 900 °C to investigate structural transformations and catalytic performance. Comprehensive characterization (XRD, BET, SEM, XPS) revealed phase transitions, enhanced crystallinity, and redistribution of redox states upon Cu incorporation, particularly the formation of NiTiO3 and an increase in oxygen vacancies. Crystallite sizes for anatase, rutile, and brookite ranged from 21 to 47 nm at NiMoCu400, while NiMoCu900 exhibited only the rutile phase with 55 nm crystallites. BET analysis showed a surface area of 44.4 m2·g−1 for NiMoCu400, and electrochemical measurements confirmed its higher electrochemically active surface area (ECSA, 2.4 cm2), indicating enhanced surface accessibility. In contrast, NiMoCu900 exhibited a much lower BET surface area (1.4 m2·g−1) and ECSA (1.4 cm2), consistent with its inferior photoelectrocatalytic performance. Compared to previously reported binary NiMo/TiO2 systems, the ternary NiMoCu/TiO2 catalysts demonstrated significantly improved hydrogen production activity and more efficient photoelectrochemical degradation of paracetamol. Specifically, NiMoCu400 showed an anodic peak current of 0.24 mA·cm−2 for paracetamol oxidation, representing a 60% increase over NiMo400 and a cathodic current of −0.46 mA·cm−2 at −0.1 V vs. RHE under illumination, nearly six times higher than the undoped counterpart (–0.08 mA·cm−2). Mott–Schottky analysis further revealed that NiMoCu400 retained n-type behavior, while NiMoCu900 exhibited an unusual inversion to p-type, likely due to Cu migration and rutile-phase-induced realignment of donor states. Despite its higher photosensitivity, NiMoCu900 showed negligible photocurrent, confirming that structural preservation and surface redox activity are critical for photoelectrochemical performance. This work provides mechanistic insight into Cu-mediated photoelectrocatalysis and identifies NiMoCu/TiO2 as a promising bifunctional platform for integrated solar-driven water treatment and sustainable hydrogen production. Full article
(This article belongs to the Section Electrocatalysis)
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19 pages, 4549 KiB  
Article
Synthesis, Structure, and Magnetic Properties of (Co/Eu) Co-Doped ZnO Nanoparticles
by Adil Guler
Coatings 2025, 15(8), 884; https://doi.org/10.3390/coatings15080884 - 29 Jul 2025
Viewed by 388
Abstract
Transition-metal and rare-earth element co-doped ZnO nanoparticles have attracted significant attention due to their potential applications in spintronics and optoelectronics. In this study, Zn0.95Co0.01EuxO (x = 0.01–0.05) nanoparticles were synthesized using the sol–gel technique. The estimated stress, strain, and [...] Read more.
Transition-metal and rare-earth element co-doped ZnO nanoparticles have attracted significant attention due to their potential applications in spintronics and optoelectronics. In this study, Zn0.95Co0.01EuxO (x = 0.01–0.05) nanoparticles were synthesized using the sol–gel technique. The estimated stress, strain, and crystallite sizes of the synthesized Co/Eu co-doped ZnO nanoparticles were calculated using the Williamson–Hall method, and their electron spin resonance (ESR) properties were investigated to examine the effect on their magnetic and structural properties. X-ray diffraction (XRD) analysis confirmed the presence of a single-phase structure. Surface morphology, elemental composition, crystal quality, defect types, density, and magnetic behavior were characterized using scanning electron microscope (SEM), electron-dispersive spectroscopy (EDS), and ESR techniques, respectively. The effect of Eu concentration on the linewidth (ΔBpp) and g-factor in the ESR spectra was studied. By correlating ESR results with the obtained structural properties, room-temperature ferromagnetic behavior was identified. Full article
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