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23 pages, 480 KiB  
Article
Executive Functions and Reading Skills in Low-Risk Preterm Children
by Miguel Pérez-Pereira, Constantino Arce and Anastasiia Ogneva
Children 2025, 12(8), 1011; https://doi.org/10.3390/children12081011 - 31 Jul 2025
Abstract
Background/Objectives. Previous research with extremely and very preterm children indicates that these children obtain significantly lower results in executive functions (EFs) and in reading skills than full-term (FT) children. The comparison results do not seem to be so clear when other PT children [...] Read more.
Background/Objectives. Previous research with extremely and very preterm children indicates that these children obtain significantly lower results in executive functions (EFs) and in reading skills than full-term (FT) children. The comparison results do not seem to be so clear when other PT children in lower-risk conditions are studied. Many studies with typically developing and preterm (PT) children indicate that reading ability is determined, in part, by EFs. Therefore, the study of EFs and reading and their relationships in low-risk PT children is pertinent. Methods. In the present study, 111 PT children, classified into three groups with different ranges of gestational age (GA), and one group of 34 FT children participated in a longitudinal study, carried out from 4 to 9 years of age. The results obtained from the four groups in different EFs measured at 4, 5, and 8 years of age, and in reading skills at 9 years of age were compared. The possible effects of EFs on reading skills were studied through multiple linear regression analyses. Results. The results obtained indicate that no significant difference was found between FT children and any of the GA groups of PT children, either in EFs or reading skills. The effect of EFs on reading skills was low to moderate. Verbal and non-verbal working memory had a positive significant effect on decoding skills (letter names, same–different, and word reading), but not on reading comprehension processes. Higher-order EFs (cognitive flexibility and planning), as well as inhibitory control, showed positive effects on reading comprehension skills. The effects of the different EFs varied depending on the reading process. Conclusions. In conclusion, low-risk PT children do not differ from FT children in their competence in EFs or reading skills. There are long-lasting effects of EFs, measured several years before, on reading skills measured at 9 years of age. Full article
(This article belongs to the Special Issue Advances in Neurodevelopmental Outcomes for Preterm Infants)
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19 pages, 4784 KiB  
Article
Investigation of the Adsorption and Reactions of Methyl Radicals on Transition Metal (M = Co, Ni, Pd, Pt) (111) Surfaces in Aqueous Suspensions
by Pankaj Kumar, Dan Meyerstein, Amir Mizrahi and Haya Kornweitz
Molecules 2025, 30(15), 3065; https://doi.org/10.3390/molecules30153065 - 22 Jul 2025
Viewed by 282
Abstract
The DFT method was used to evaluate the adsorption of methyl radicals and the evolution of ethane on the M(111) (M = Co, Ni, Pd, Pt) surfaces, eight metal atoms, in aqueous medium. A maximum of five and four radicals can be adsorbed [...] Read more.
The DFT method was used to evaluate the adsorption of methyl radicals and the evolution of ethane on the M(111) (M = Co, Ni, Pd, Pt) surfaces, eight metal atoms, in aqueous medium. A maximum of five and four radicals can be adsorbed on Co(111) and Ni(111), respectively, and six on Pd(111) and Pt(111) (top site). The ethane evolution occurs via the Langmuir–Hinshelwood (LH) or Eley–Rideal (ER) mechanisms. The production of ethane through the interaction of two adsorbed radicals is thermodynamically feasible for high coverage ratios on the four surfaces; however, kinetically, it is feasible at room temperature only on Co(111) at a coverage of (5/5) and on Pd(111) at a coverage ratio of 4/6, 5/6, and 6/6. Ethane production occurs via the ER mechanism: a collision with solvated methyl radical produces either C2H6 or CH2+CH4(aq). On Pd(111) the product is only C2H6, on Pt(111), both products (C2H6 or CH2) are plausible, and on Co(111) and Ni(111), only CH2+CH4(aq) is produced. Further reactions of CH2 with CH2 or CH3 to give C2H4 or C2H5 are thermodynamically plausible only on Pt(111); however, they are very slow due to high energy barriers, 1.48 and 1.36 eV, respectively. Full article
(This article belongs to the Special Issue Inorganic Chemistry in Asia, 2nd Edition)
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16 pages, 2734 KiB  
Article
Achieving a High Energy Storage Performance in Grain Engineered (Ba,Sr)(Zr,Ti)O3 Ferroelectric Films Integrated on Si
by Fuyu Lv, Chao Liu, Hongbo Cheng and Jun Ouyang
Nanomaterials 2025, 15(12), 920; https://doi.org/10.3390/nano15120920 - 13 Jun 2025
Viewed by 366
Abstract
BaTiO3-based lead-free ferroelectric films with a large recoverable energy density (Wrec) and a high energy efficiency (η) are crucial components for next-generation dielectric capacitors, which are used in energy conditioning and storage applications in integrated circuits. [...] Read more.
BaTiO3-based lead-free ferroelectric films with a large recoverable energy density (Wrec) and a high energy efficiency (η) are crucial components for next-generation dielectric capacitors, which are used in energy conditioning and storage applications in integrated circuits. In this study, grain-engineered (Ba0.95,Sr0.05)(Zr0.2,Ti0.8)O3 (BSZT) ferroelectric thick films (~500 nm) were prepared on Si substrates. These films were deposited at 350 °C, 100 °C lower than the temperature at which the LaNiO3 buffer layer was deposited on Pt/Ti. This method reduced the (001) grain population due to a weakened interface growth mode, while promoting volume growth modes that produced (110) and (111) grains with a high polarizability. As a result, these films exhibited a maximum polarization of ~88.0 μC/cm2, a large Wrec of ~203.7 J/cm3, and a high energy efficiency η of 81.2% (@ 6.4 MV/cm). The small-field dielectric constant nearly tripled as compared with that of the same BSZT/LaNiO3 heterostructure deposited at the same temperature (350 °C or 450 °C). The enhanced linear dielectric response, delayed ferroelectric polarization saturation, and increased dielectric strength due to the nano-grain size, collectively contributed to the improved energy storage performance. This work provides a novel approach for fabricating high-performance dielectric capacitors for energy storage applications. Full article
(This article belongs to the Section Nanoelectronics, Nanosensors and Devices)
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19 pages, 2133 KiB  
Article
Electrodeposited Co Crystalline Islands Shelled with Facile Spontaneously Deposited Pt for Improved Oxygen Reduction
by Jelena Golubović, Lazar Rakočević, Vladimir Rajić, Miloš Milović and Svetlana Štrbac
Catalysts 2025, 15(5), 490; https://doi.org/10.3390/catal15050490 - 18 May 2025
Viewed by 563
Abstract
The cobalt crystalline islands (Cocryst) were electrochemically deposited onto a glassy carbon (GC) support and then modified by a facile spontaneous deposition of platinum. The electrocatalytic activity of the resulting Cocryst-Pt core-shell catalyst was evaluated for the oxygen reduction [...] Read more.
The cobalt crystalline islands (Cocryst) were electrochemically deposited onto a glassy carbon (GC) support and then modified by a facile spontaneous deposition of platinum. The electrocatalytic activity of the resulting Cocryst-Pt core-shell catalyst was evaluated for the oxygen reduction reaction (ORR) in an alkaline medium. The XRD characterization of the Cocryst-Pt islands revealed that the cobalt core had a hexagonal close-packed (hcp) crystalline structure, and that the platinum shell exhibited a crystalline structure with a preferential (111) orientation. SEM images showed that the average lateral size of the Cocryst islands was 1.17 μm, which increased to 1.32 μm after adding platinum. The XPS analysis indicated that the outer layer of the bulk metallic Cocryst islands was fully oxidized. During the spontaneous deposition of platinum, the outer Co(OH)2 layer was dissolved, leaving the cobalt core in a metallic state, while the platinum shell remained only partially oxidized. The high electrochemically active surface area of the Cocryst-Pt/GC electrode, along with a suitable crystalline structure of the Cocryst-Pt islands, contributes to enhancing its ORR activity by providing a greater number of surface active sites for oxygen adsorption and subsequent reduction. The ORR on the Cocryst-Pt catalyst occurs via a four-electron reaction pathway, with onset and half-wave potentials of 1.07 V and 0.87 V, respectively, which exceed those of polycrystalline platinum and a commercial benchmark Pt/C. Full article
(This article belongs to the Special Issue Insight into Electrocatalysts for Oxygen Reduction Reaction)
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14 pages, 5291 KiB  
Article
Mechanisms for the Production and Suppression of Hydrogen Peroxide at the Hydrogen Electrode in Proton Exchange Membrane Fuel Cells and Water Electrolyzers: Theoretical Considerations
by Donald A. Tryk, Guoyu Shi, Katsuyoshi Kakinuma, Makoto Uchida and Akihiro Iiyama
Catalysts 2024, 14(12), 890; https://doi.org/10.3390/catal14120890 - 4 Dec 2024
Cited by 3 | Viewed by 1546
Abstract
Hydrogen peroxide is inevitably produced at the hydrogen electrode in both the proton exchange membrane fuel cell (PEMFC) and the proton exchange membrane water electrolyzer (PEMWE) when platinum-based catalysts are used. This peroxide attacks and degrades the membrane, seriously limiting its lifetime. Here [...] Read more.
Hydrogen peroxide is inevitably produced at the hydrogen electrode in both the proton exchange membrane fuel cell (PEMFC) and the proton exchange membrane water electrolyzer (PEMWE) when platinum-based catalysts are used. This peroxide attacks and degrades the membrane, seriously limiting its lifetime. Here we review some of our previous efforts to suppress peroxide production using PtFe as a hydrogen evolution reaction (HER) catalyst and PtCo as a hydrogen oxidation reaction (HOR) catalyst. The mechanisms, which involve the chemical reaction of adsorbed hydrogen with oxygen, are examined using density functional theory. The onset of excess peroxide production at 0.1 V above the reversible potential has not been adequately explained thus far, and therefore a new mechanism is proposed here. This involves a unique reaction site including hydrogen adsorbed at (110) step edges adjacent to (111) terraces on the Pt surface, as well as on Pt alloys and other metals such as Rh and Ir. This mechanism helps explain the recent finding of the Wadayama group that Ir single crystal surfaces such as Ir(111) and Ir(110) produce little peroxide during the HOR. It also points the way toward the design of new catalysts for the hydrogen electrode that suppress peroxide production while retaining high HOR and HER activity. Full article
(This article belongs to the Section Electrocatalysis)
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6 pages, 242 KiB  
Proceeding Paper
Biomonitoring Exposure to Platinum, Palladium and Rhodium in Young University Students from Leicester, England
by Antonio Peña-Fernández, Manuel Higueras, María del Carmen Lobo-Bedmar, Edna Segura and María de los Ángeles Peña
Proceedings 2024, 102(1), 56; https://doi.org/10.3390/proceedings2024102056 - 28 Nov 2024
Viewed by 678
Abstract
We assessed the dietary exposure to platinum group elements [PGEs; platinum (Pt), palladium (Pd) and rhodium (Rh)] in young adults (18–23 yrs old) at De Montfort University (DMU, England). A total of 111 (20.45 yrs old; 78 female) DMU students participated. PGEs were [...] Read more.
We assessed the dietary exposure to platinum group elements [PGEs; platinum (Pt), palladium (Pd) and rhodium (Rh)] in young adults (18–23 yrs old) at De Montfort University (DMU, England). A total of 111 (20.45 yrs old; 78 female) DMU students participated. PGEs were analysed in scalp hair by ICP-MS. Pt was detected in hair from sixteen female [median and IQR, in µg/g: 0.00014 (0.000036, 0.000551)] and two male participants [P95 = 0.00205, in µg/g]; Rh was detected in seven female [P95 = 0.0038, in µg/g] and six male participants [median and IQR, in µg/g: 0.00097 (0.00028, 0.00335)]. Our results suggest that DMU students show minimal exposure to PGEs. Full article
(This article belongs to the Proceedings of The 1st International Electronic Conference on Toxics)
14 pages, 5122 KiB  
Article
Enhanced Platinum-Based Thin-Film Catalysts for Electro-Oxidation of Methanol
by Dušan V. Tripković, Dragana L. Milošević, Sanja I. Stevanović, Ksenija Dj. Popović and Vladislava M. Jovanović
Materials 2024, 17(22), 5575; https://doi.org/10.3390/ma17225575 - 15 Nov 2024
Viewed by 1115
Abstract
Surface morphology is one of the critical factors affecting the performance of electrocatalysts. Thus, with careful manipulation of the surface structures at the atomic level, the effectiveness of the catalyst can be significantly improved. Heat treatment is an effective method for inducing surface [...] Read more.
Surface morphology is one of the critical factors affecting the performance of electrocatalysts. Thus, with careful manipulation of the surface structures at the atomic level, the effectiveness of the catalyst can be significantly improved. Heat treatment is an effective method for inducing surface atom rearrangement, hence modifying the catalyst’s characteristics. This study investigated the substrate’s influence and the effect of thermal annealing on the morphology and surface reconstruction of platinum (Pt) thin-film catalysts. Our findings indicate that heat treatment in a reductive atmosphere (95% Ar + 5% H2) at 300 °C can significantly impact the degree of rearrangement of surface atoms. This process induces long-range ordering, resulting in domains with a high proportion of (111) and (100) sites without an epitaxial template. Considering that the reactivity of low-index platinum single crystals for the methanol oxidation reaction follows the following sequence Pt(111) < Pt(110) < Pt(100), increasing the proportion of (100) planes leads to a notable enhancement (up to three times) in performance, compared to untreated catalysts. Furthermore, considering the amount of precious metal consumed, a mass-specific current density obtained on annealed Pt@Ni is larger by one order of magnitude and ~2 times that obtained on Pt@Cr and Pt@GCox catalysts, respectively. Our results demonstrate that an easy-to-implement way of controlling atomic orientations improves catalyst performance. With this contribution, we propose a method for designing improved electrocatalysts, as catalytic reactions occur only at the surface. Full article
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12 pages, 3818 KiB  
Article
Electro-Reactivity of Resorcinol on Pt(111) Single-Crystal Plane and Its Influence on the Kinetics of Underpotentially Deposited Hydrogen and Hydrogen Evolution Reaction Processes in 0.1 M NaOH Solution
by Bogusław Pierożyński, Mateusz Kuczyński and Tomasz Mikołajczyk
Crystals 2024, 14(6), 545; https://doi.org/10.3390/cryst14060545 - 12 Jun 2024
Cited by 2 | Viewed by 970
Abstract
This article primarily presents cyclic voltammetry, Tafel polarization and ac. impedance spectroscopy electrochemical examinations of resorcinol (RC) electro-reactivity on the Pt(111) surface and its influence on the kinetics of UPD H (underpotentially deposited hydrogen) and the HER (hydrogen evolution reaction) in a [...] Read more.
This article primarily presents cyclic voltammetry, Tafel polarization and ac. impedance spectroscopy electrochemical examinations of resorcinol (RC) electro-reactivity on the Pt(111) surface and its influence on the kinetics of UPD H (underpotentially deposited hydrogen) and the HER (hydrogen evolution reaction) in a 0.1 M NaOH supporting solution. The collected data provided evidence of the RC-ion’s surface adsorption and its further electroreduction in the presence of surface-adsorbed H radicals along with their primary beneficial role on the kinetics of the UPD H process. The above was elucidated through an evaluation of the associated charge-transfer resistance and capacitance parameters, and was carried out on the platinum (111) electrode plane, comparatively, for the RC-free and resorcinol-modified NaOH electrolyte. In addition, the recorded cathodic charge transients (obtained by injecting small amounts of RC-based 0.1 M NaOH solution to initially resorcinol-free electrolyte, carried out at the constant electrode potential characteristic to the UPD H potential zone) provided evidence that the RC species undergoes electrocatalytic reduction through the involvement of the Pt(111)-chemisorbed hydrogen radicals. Full article
(This article belongs to the Special Issue Materials for Applications in Water Splitting and Battery)
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9 pages, 2262 KiB  
Communication
MoSe2 with Ultra-Fine Pt Decoration for Efficient Photodegradation
by Yong Chen, Dawei Shao, Fupeng Xu, Zhongjia Huang and Xinying Shi
Appl. Sci. 2024, 14(9), 3592; https://doi.org/10.3390/app14093592 - 24 Apr 2024
Cited by 2 | Viewed by 1418
Abstract
Transition metal dichalcogenides are widely studied for their photocatalytic ability due to the adjustable bandgap, high carrier mobility and possibility of foreign-element doping. In this work, multilayer molybdenum diselenide (MoSe2) was decorated with ultra-fine Pt nanoparticles through the mild hydrothermal method. [...] Read more.
Transition metal dichalcogenides are widely studied for their photocatalytic ability due to the adjustable bandgap, high carrier mobility and possibility of foreign-element doping. In this work, multilayer molybdenum diselenide (MoSe2) was decorated with ultra-fine Pt nanoparticles through the mild hydrothermal method. MoSe2-Pt nanocomposites were synthesized and showed good structural and chemical stabilities. The incorporation of Pt nanoparticles provides plenty of active sites for MoSe2. The dominant Pt particle sizes are 1.8 nm, 1.8 nm, and 1.9 nm for the three synthesized samples, respectively. The mean crystal sizes of Pt (111) were calculated from X-ray diffraction patterns and we found that they were in accordance with the particle sizes. Both the particle sizes and mean crystal sizes are related to the synthesis conditions. X-ray photoelectron spectroscopy (XPS) characterizations revealed the formation of Se–Pt bonding. The relative contents of Pt–Se bonding were also calculated from XPS results, and they show the same trends as the optical absorption properties. Combining the XPS and optical absorption results, the effects of Se–Pt bonding during the photo-related process could be further confirmed. By degrading methylene blue (MB) under visible light, the synthesized nanocomposites proved promising for application in real-case degradation of organic pollutants. The sample synthesized with a moderate content of MoSe2 exhibited the best photodegradation efficiency, which could be explained by the maximum Pt-Se contents. Based on the experimental findings, we proposed a possible photodegradation mechanism. Full article
(This article belongs to the Topic Nanomaterials for Energy and Environmental Applications)
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18 pages, 4769 KiB  
Article
Potentials and Limits of PMN-PT and PIN-PMN-PT Single Crystals for Pyroelectric Energy Harvesting
by Mohammed Es-Souni
Crystals 2024, 14(3), 236; https://doi.org/10.3390/cryst14030236 - 28 Feb 2024
Cited by 1 | Viewed by 2501
Abstract
Waste heat is inherent to industrial activities, IT services (e.g., data centers and microprocessors), human mobility, and many other common processes. The power lost each year in this way has been estimated in the 1000 TWh in the EU which, owing to skyrocketing [...] Read more.
Waste heat is inherent to industrial activities, IT services (e.g., data centers and microprocessors), human mobility, and many other common processes. The power lost each year in this way has been estimated in the 1000 TWh in the EU which, owing to skyrocketing energy prices and not least the urgent need for decarbonizing the economy, has engendered tremendous research efforts among scientists and engineers to recover/recycle this waste energy. Beyond established thermal engineering solutions for waste heat, advances in multifunctional materials open new paradigms for waste heat harvesting. Two smart material types are of particular focus and interest at present; these are thermoelectric and pyroelectric materials, which can both transform heat to electrical power, though via different effects. The present paper summarizes our research work on a new class of pyroelectric materials, namely <111> oriented (1 − x)(Pb(Mg1/3Nb2/3)O3xPbTiO3 (PMN-PT) and x-Pb(In1/2 Nb1/2)O3-y-Pb(Mg1/3 Nb2/3)O3-(1 − x − y)-PbTiO3 (PIN-PMN-PT) single crystals that exhibit some of the highest pyroelectric properties ever measured. First, a figure of merit for pyroelectric energy harvesting is derived, followed by a detailed assessment of the properties of the said crystals and how they depend on structure, poling, thickness, and temperature. The properties are further contrasted with those of conventional pyroelectric crystals. It is concluded that the PMN-PT-base single crystals are best suited for harvesting devices with a working temperature range from 40 to 100 °C, which encompasses waste heat generated by data centers and some chemical and industrial processes, affording the highest figure of merit among pyroelectric materials. Full article
(This article belongs to the Special Issue Advanced Ferroelectric, Piezoelectric and Dielectric Ceramics)
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13 pages, 976 KiB  
Article
Antiphospholipid Antibodies and Vascular Thrombosis in Patients with Severe Forms of COVID-19
by Mirjana Zlatković-Švenda, Milica Ovuka, Manca Ogrič, Saša Čučnik, Polona Žigon, Aleksandar Radivčev, Marija Zdravković and Goran Radunović
Biomedicines 2023, 11(12), 3117; https://doi.org/10.3390/biomedicines11123117 - 22 Nov 2023
Cited by 5 | Viewed by 1924
Abstract
Antiphospholipid antibodies (aPLA) are a laboratory criterion for the classification of antiphospholipid syndrome (APS) and are known to cause clinical symptoms such as vascular thrombosis or obstetric complications. It is suggested that aPLA may be associated with thromboembolism in severe COVID-19 cases. Therefore, [...] Read more.
Antiphospholipid antibodies (aPLA) are a laboratory criterion for the classification of antiphospholipid syndrome (APS) and are known to cause clinical symptoms such as vascular thrombosis or obstetric complications. It is suggested that aPLA may be associated with thromboembolism in severe COVID-19 cases. Therefore, we aimed to combine clinical data with laboratory findings of aPLA at four time points (admission, worsening, discharge, and 3-month follow-up) in patients hospitalized with COVID-19 pneumonia. In 111 patients with COVID-19 pneumonia, current and past history of thrombosis and pregnancy complications were recorded. Nine types of aPLA were determined at four time points: anticardiolipin (aCL), anti-β2-glycoprotein I (anti- β2GPI), and antiphosphatidylserine/prothrombin (aPS/PT) of the IgM, IgG, or IgA isotypes. During hospitalization, seven patients died, three of them due to pulmonary artery thromboembolism (none were aPLA positive). Only one of the five who developed pulmonary artery thrombosis was aPLA positive. Out of 9/101 patients with a history of thrombosis, five had arterial thrombosis and none were aPLA positive at admission and follow-up; four had venous thrombosis, and one was aPLA positive at all time points (newly diagnosed APS). Of these 9/101 patients, 55.6% were transiently aPLA positive at discharge only, compared to 26.1% without a history of thrombosis (p = 0.041). Patients with severe forms of COVID-19 and positive aPLA should receive the same dose and anticoagulant medication regimen as those with negative aPLA because those antibodies are mostly transiently positive and not linked to thrombosis and fatal outcomes. Full article
(This article belongs to the Special Issue Basic and Clinical Researches of Antiphospholipid Syndrome)
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11 pages, 6207 KiB  
Article
Towards High-Temperature MEMS: Two-Step Annealing Suppressed Recrystallization in Thin Multilayer Pt-Rh/Zr Films
by Georgii A. Pleshakov, Ivan A. Kalinin, Alexey V. Ivanov, Ilya V. Roslyakov, Igor V. Yaminsky and Kirill S. Napolskii
Micromachines 2023, 14(11), 2003; https://doi.org/10.3390/mi14112003 - 28 Oct 2023
Viewed by 2301
Abstract
Platinum-based thin films are widely used to create microelectronic devices operating at temperatures above 500 °C. One of the most effective ways to increase the high-temperature stability of platinum-based films involves incorporating refractory metal oxides (e.g., ZrO2, HfO2). In [...] Read more.
Platinum-based thin films are widely used to create microelectronic devices operating at temperatures above 500 °C. One of the most effective ways to increase the high-temperature stability of platinum-based films involves incorporating refractory metal oxides (e.g., ZrO2, HfO2). In such structures, refractory oxide is located along the metal grain boundaries and hinders the mobility of Pt atoms. However, the effect of annealing conditions on the morphology and functional properties of such multiphase systems is rarely studied. Here, we show that the two-step annealing of 250-nm-thick Pt-Rh/Zr multilayer films instead of the widely used isothermal annealing leads to a more uniform film morphology without voids and hillocks. The composition and morphology of as-deposited and annealed films were investigated using X-ray diffraction and scanning electron microscopy, combined with energy-dispersive X-ray spectroscopy. At the first annealing step at 450 °C, zirconium oxidation was observed. The second high-temperature annealing at 800–1000 °C resulted in the recrystallization of the Pt-Rh alloy. In comparison to the one-step annealing of Pt-Rh and Pt-Rh/Zr films, after two-step annealing, the metal phase in the Pt-Rh/Zr films has a smaller grain size and a less pronounced texture in the <111> direction, manifesting enhanced high-temperature stability. After two-step annealing at 450/900 °C, the Pt-Rh/Zr thin film possessed a grain size of 60 ± 27 nm and a resistivity of 17 × 10−6 Ω·m. The proposed annealing protocol can be used to create thin-film MEMS devices for operation at elevated temperatures, e.g., microheater-based gas sensors. Full article
(This article belongs to the Special Issue Micro and Nano Technology in Gas Sensing)
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12 pages, 2805 KiB  
Article
The Influence of Crystal Anisotropy on the Characteristics of Solitary Waves in the Nonlinear Supratransmission Effect: Molecular Dynamic Modeling
by Pavel V. Zakharov, Elena A. Korznikova, Artem A. Izosimov and Andrey S. Kochkin
Computation 2023, 11(10), 193; https://doi.org/10.3390/computation11100193 - 2 Oct 2023
Cited by 5 | Viewed by 1872
Abstract
This study examines the mechanism of nonlinear supratransmission (NST), which involves the transfer of disturbance to discrete media at frequencies not supported by the structure. We considered a model crystal with A3B stoichiometry. The investigation was carried out using atomistic modeling through molecular [...] Read more.
This study examines the mechanism of nonlinear supratransmission (NST), which involves the transfer of disturbance to discrete media at frequencies not supported by the structure. We considered a model crystal with A3B stoichiometry. The investigation was carried out using atomistic modeling through molecular dynamics. The interatomic interaction was determined by a potential obtained through the embedded atom method, which approximates the properties of the Pt3Al crystal. The effect of NST is an important property of many discrete structures. Its existence requires the discreteness and nonlinearity of the medium, as well as the presence of a forbidden zone in its spectrum. This work focuses on the differences in the NST effect due to the anisotropy of crystallographic directions. Three planes along which the disturbance caused by NST propagated were considered: (100), (110), and (111). It was found that the intensity of the disturbance along the (100) plane is an order of magnitude lower than for more densely packed directions. Differences in the shape of solitary waves depending on the propagation direction were shown. Moreover, all waves can be described by a single equation, being a solution of the discrete variational equations of macroscopic and microscopic displacements, with different parameters, emphasizing the unified nature of the waves and the contribution of crystal anisotropy to their properties. Studying the NST phenomenon is essential due to numerous applications of the latter, such as implications in information transmission and signal processing. Understanding how disturbances propagate in discrete media could lead to advancements in communication technologies, data storage, and signal amplification where the earlier mentioned ability to describe it with analytical equations is of particular importance. Full article
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12 pages, 4711 KiB  
Article
Synthesis of Single Crystal 2D Cu2FeSnS4 Nanosheets with High-Energy Facets (111) as a Pt-Free Counter Electrode for Dye-Sensitized Solar Cells
by Jianming Wen, Suqin Chen, You Xu, Tuxiang Guan, Xiaoyan Zhang and Ningzhong Bao
Materials 2023, 16(13), 4743; https://doi.org/10.3390/ma16134743 - 30 Jun 2023
Cited by 2 | Viewed by 1543
Abstract
Two-dimensional Cu2FeSnS4 (CFTS) nanosheets with exposed high-energy facets (111) have been synthesized by a facile, scalable, and cost-effective one-pot heating process. The CFTS phase formation is confirmed by both X-ray diffraction and Raman spectroscopy. The formation mechanism of exposed high-energy [...] Read more.
Two-dimensional Cu2FeSnS4 (CFTS) nanosheets with exposed high-energy facets (111) have been synthesized by a facile, scalable, and cost-effective one-pot heating process. The CFTS phase formation is confirmed by both X-ray diffraction and Raman spectroscopy. The formation mechanism of exposed high-energy facet CFTS growth is proposed and its electrochemical and photoelectrochemical properties are investigated in detail to reveal the origin of the anisotropic effect of the high-energy facets. Dye-sensitized solar cells (DSSC) achieve a favorable power conversion efficiency of 5.92% when employing CFTS thin film as a counter electrode, suggesting its potential as a cost-effective substitute for Pt in DSSCs. Full article
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10 pages, 2415 KiB  
Article
Platinum-Cobalt Nanowires for Efficient Alcohol Oxidation Electrocatalysis
by Wenwen Wang, Xinyi Bai, Xiaochu Yuan, Yumin Liu, Lin Yang and Fangfang Chang
Materials 2023, 16(2), 840; https://doi.org/10.3390/ma16020840 - 15 Jan 2023
Cited by 6 | Viewed by 2330
Abstract
The compositions and surface facets of platinum (Pt)-based electrocatalysts are of great significance for the development of direct alcohol fuel cells (DAFCs). We reported an approach for preparing ultrathin PtnCo100−n nanowire (NW) catalysts with high activity. The PtnCo [...] Read more.
The compositions and surface facets of platinum (Pt)-based electrocatalysts are of great significance for the development of direct alcohol fuel cells (DAFCs). We reported an approach for preparing ultrathin PtnCo100−n nanowire (NW) catalysts with high activity. The PtnCo100−n NW alloy catalysts synthesized by single-phase surfactant-free synthesis have adjustable compositions and (111) plane and strain lattices. X-ray diffraction (XRD) results indicate that the alloy composition can adjust the lattice shrinkage or expansion of PtnCo100−n NWs. X-ray photoelectron spectroscopy (XPS) results show that the electron structure of Pt is changed by the alloying effect caused by electron modulation in the d band, and the chemical adsorption strength of Pt is decreased, thus the catalytic activity of Pt is increased. The experimental results show that the activity of PtnCo100−n for the oxidation of methanol and ethanol is related to the exposed crystal surface, strain lattice and composition of catalysts. The PtnCo100−n NWs exhibit stronger electrocatalytic performance for both methanol oxidation reaction (MOR) and ethanol oxidation reaction (EOR). The dominant (111) plane Pt53Co47 exhibits the highest electrocatalytic activity in MOR, which is supported by the results of XPS. This discovery provides a new pathway to design high activity, stability nanocatalysts to enhance direct alcohol fuel cells. Full article
(This article belongs to the Special Issue Alloys and Composites: Structural and Functional Applications)
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