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Influence of aluminium and tungsten impurities on reduced graphene oxide/zinc oxide nanocomposites humidity sensing performance
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-03 DOI: 10.1007/s00339-025-08349-6
A. Shamsul Rahimi A. Subki, Faiz Arith, Dayana Kamaruzaman, Norfarariyanti Parimon, Musa Mohamed Zahidi, Suriani Abu Bakar, Mohd Khairul Ahmad, Muhammad Danang Birowosuto, Nagamalai Vasimalai, Mohamad Hafiz Mamat

In this work, impurities-induced ZnO nanostructured powders were prepared via a benign, ultrasonicated low-temperature solution immersion method. The humidity sensor was constructed utilizing the nanocomposite consisting of the synthesized impurities-induced ZnO nanostructured powders with reduced graphene oxide by a facile brush printing procedure. This work intended to evaluate the effect of impurities on the formation of nanocomposite heterostructures for optimal humidity sensing properties and investigate their correlation with morphological, chemical, optical, and electrical characteristics. The characterization for morphological, chemical, and optical changes induced by Al and W impurities in the nanocomposites was conducted through XRD, HRTEM, EDS, Raman spectroscopy, XPS and DRS. The fabricated humidity sensors have been evaluated at room temperature to assess their sensor resistance ratio, sensitivity, sensing response, and other related humidity sensing performance at relative humidity levels ranging from 40 to 90%. The humidity sensor utilizing rGO/W:ZnO nanocomposite exhibited better resistance changes compared to rGO/ZnO. Corresponding to the nanocomposite formation between W:ZnO and rGO, the sensor resistance ratio and sensitivity improved significantly to 249.61 ± 0.97 and 12.67 ± 0.06 MΩ/%RH, respectively with the sensor establishing a maximum sensing response of 99.61 ± 0.02. Furthermore, the rGO/W:ZnO heterostructure-based humidity sensor demonstrated improved and lowest hysteresis error, long-term stability over 30 days, and reliable repeatability compared to other tested samples within the tested relative humidity range. The utilization of W:ZnO with rGO as sensing material provides a novel direction for designing a cost-effective and highly sensitive humidity monitoring sensor.

{"title":"Influence of aluminium and tungsten impurities on reduced graphene oxide/zinc oxide nanocomposites humidity sensing performance","authors":"A. Shamsul Rahimi A. Subki,&nbsp;Faiz Arith,&nbsp;Dayana Kamaruzaman,&nbsp;Norfarariyanti Parimon,&nbsp;Musa Mohamed Zahidi,&nbsp;Suriani Abu Bakar,&nbsp;Mohd Khairul Ahmad,&nbsp;Muhammad Danang Birowosuto,&nbsp;Nagamalai Vasimalai,&nbsp;Mohamad Hafiz Mamat","doi":"10.1007/s00339-025-08349-6","DOIUrl":"10.1007/s00339-025-08349-6","url":null,"abstract":"<div><p>In this work, impurities-induced ZnO nanostructured powders were prepared via a benign, ultrasonicated low-temperature solution immersion method. The humidity sensor was constructed utilizing the nanocomposite consisting of the synthesized impurities-induced ZnO nanostructured powders with reduced graphene oxide by a facile brush printing procedure. This work intended to evaluate the effect of impurities on the formation of nanocomposite heterostructures for optimal humidity sensing properties and investigate their correlation with morphological, chemical, optical, and electrical characteristics. The characterization for morphological, chemical, and optical changes induced by Al and W impurities in the nanocomposites was conducted through XRD, HRTEM, EDS, Raman spectroscopy, XPS and DRS. The fabricated humidity sensors have been evaluated at room temperature to assess their sensor resistance ratio, sensitivity, sensing response, and other related humidity sensing performance at relative humidity levels ranging from 40 to 90%. The humidity sensor utilizing rGO/W:ZnO nanocomposite exhibited better resistance changes compared to rGO/ZnO. Corresponding to the nanocomposite formation between W:ZnO and rGO, the sensor resistance ratio and sensitivity improved significantly to 249.61 ± 0.97 and 12.67 ± 0.06 MΩ/%RH, respectively with the sensor establishing a maximum sensing response of 99.61 ± 0.02. Furthermore, the rGO/W:ZnO heterostructure-based humidity sensor demonstrated improved and lowest hysteresis error, long-term stability over 30 days, and reliable repeatability compared to other tested samples within the tested relative humidity range. The utilization of W:ZnO with rGO as sensing material provides a novel direction for designing a cost-effective and highly sensitive humidity monitoring sensor.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143530019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of anisotropic effective magnetic damping in epitaxial La0.67Sr0.33MnO3 film
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-03 DOI: 10.1007/s00339-024-08233-9
Yibing Zhao, Xueqian Zhan, Yinjia Zhao, Changjun Jiang

La0.67Sr0.33MnO3 (i.e., LSMO), a perovskite semi-metal oxide, is renowned for its high spin polarization, elevated Curie temperature, and notably low Gilbert damping, making it a promising candidate for spintronics applications. In this study, anisotropic Gilbert damping was experimentally observed in a 20-nm thick epitaxial single-crystal LSMO/STO (sub.) film deposited by using pulsed laser deposition (PLD), exhibiting a combination of uniaxial and fourfold anisotropies, using broadband ferromagnetic resonance (FMR) at 300 K. The behavior of the damping coefficient α, suggests that Gilbert damping in the LSMO film predominantly arises from two-magnon scattering. Remarkably, the anisotropic effective damping showed a significant increase, from 125 to 229%, across the easy and hard magnetic axes as the temperature decreased from 300 K to 100 K. Additionally, an enhanced peak of the Gilbert damping is observed as the temperature rises to approximately 150 K, likely due to a spin reorientation transition at the LSMO/STO interface. These findings underscore the potential of LSMO thin films in spintronic devices requiring tunable magnetic damping properties.

{"title":"Investigation of anisotropic effective magnetic damping in epitaxial La0.67Sr0.33MnO3 film","authors":"Yibing Zhao,&nbsp;Xueqian Zhan,&nbsp;Yinjia Zhao,&nbsp;Changjun Jiang","doi":"10.1007/s00339-024-08233-9","DOIUrl":"10.1007/s00339-024-08233-9","url":null,"abstract":"<div><p>La<sub>0.67</sub>Sr<sub>0.33</sub>MnO<sub>3</sub> (i.e., LSMO), a perovskite semi-metal oxide, is renowned for its high spin polarization, elevated Curie temperature, and notably low Gilbert damping, making it a promising candidate for spintronics applications. In this study, anisotropic Gilbert damping was experimentally observed in a 20-nm thick epitaxial single-crystal LSMO/STO (sub.) film deposited by using pulsed laser deposition (PLD), exhibiting a combination of uniaxial and fourfold anisotropies, using broadband ferromagnetic resonance (FMR) at 300 K. The behavior of the damping coefficient <i>α</i>, suggests that Gilbert damping in the LSMO film predominantly arises from two-magnon scattering. Remarkably, the anisotropic effective damping showed a significant increase, from 125 to 229%, across the easy and hard magnetic axes as the temperature decreased from 300 K to 100 K. Additionally, an enhanced peak of the Gilbert damping is observed as the temperature rises to approximately 150 K, likely due to a spin reorientation transition at the LSMO/STO interface. These findings underscore the potential of LSMO thin films in spintronic devices requiring tunable magnetic damping properties.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143530018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Achieving long-term gas pressure stability in diffusion-cooled carbon dioxide (CO2) lasers by minimizing CO2 adsorption from 3Å molecular sieves with optimized cesium exchange rates
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-03 DOI: 10.1007/s00339-025-08350-z
T. Finke, J. Serafińczuk, R. Köhler, W. Viöl

The smallest computer chip structures currently available are produced using state-of-the-art EUV radiation. The established concept utilizes CO2 lasers to pump a laser-induced plasma, generating 13 nm EUV radiation. In diffusion-cooled carbon dioxide lasers, long-term stability of the gas mixture is extremely important for stable performance because there is no gas exchange. Minimal amounts of water disturb the gas equilibrium. Molecular sieves enable rapid drying of the resonator and long-term water adsorption. However, conventional 3 Å molecular sieves and molecular sieves from previously published studies adsorb not only water molecules but also other laser gas components such as carbon dioxide in parallel. This leads to both a drop in pressure and a loss of laser power making them inappropriate for use in a diffusion-cooled laser. In this work, the chemical and selectivity properties with regard to water and carbon dioxide molecules of specially manufactured cesium-ion exchanged 3Å LTA molecular sieves were systematically investigated and their suitability for the laser was tested. Applying molecular sieves with an optimum exchange rate of 40.5% cesium content prepared with a high regeneration temperature of 673.2 K, a condition was finally found in which the water from the laser gas is adsorbed in sufficient quantity (15.9% of the molecular sieve’s self-weight), even the adsorption of carbon dioxide was prevented to a negligible extent. Despite a very small difference in molecular diameter between water and carbon dioxide of only 0.2 Å, long-term continuous operation of the system became possible.

{"title":"Achieving long-term gas pressure stability in diffusion-cooled carbon dioxide (CO2) lasers by minimizing CO2 adsorption from 3Å molecular sieves with optimized cesium exchange rates","authors":"T. Finke,&nbsp;J. Serafińczuk,&nbsp;R. Köhler,&nbsp;W. Viöl","doi":"10.1007/s00339-025-08350-z","DOIUrl":"10.1007/s00339-025-08350-z","url":null,"abstract":"<div><p>The smallest computer chip structures currently available are produced using state-of-the-art EUV radiation. The established concept utilizes CO<sub>2</sub> lasers to pump a laser-induced plasma, generating 13 nm EUV radiation. In diffusion-cooled carbon dioxide lasers, long-term stability of the gas mixture is extremely important for stable performance because there is no gas exchange. Minimal amounts of water disturb the gas equilibrium. Molecular sieves enable rapid drying of the resonator and long-term water adsorption. However, conventional 3 Å molecular sieves and molecular sieves from previously published studies adsorb not only water molecules but also other laser gas components such as carbon dioxide in parallel. This leads to both a drop in pressure and a loss of laser power making them inappropriate for use in a diffusion-cooled laser. In this work, the chemical and selectivity properties with regard to water and carbon dioxide molecules of specially manufactured cesium-ion exchanged 3Å LTA molecular sieves were systematically investigated and their suitability for the laser was tested. Applying molecular sieves with an optimum exchange rate of 40.5% cesium content prepared with a high regeneration temperature of 673.2 K, a condition was finally found in which the water from the laser gas is adsorbed in sufficient quantity (15.9% of the molecular sieve’s self-weight), even the adsorption of carbon dioxide was prevented to a negligible extent. Despite a very small difference in molecular diameter between water and carbon dioxide of only 0.2 Å, long-term continuous operation of the system became possible.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00339-025-08350-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On the plane and Rayleigh-type waves propagation in the context of nonlocal two-phase-lag thermoelasticity
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-03-01 DOI: 10.1007/s00339-025-08353-w
Srijit Goswami, Nantu Sarkar

The principle objective of this manuscript is to investigate the propagation of time-harmonic plane as well as surface wave in an infinite linear nonlocal thermoelastic medium occupied the whole space, assuming a known wavelength. For the thermodynamic response, we adopt the dual-phase-lag (DPL) heat conduction model of generalized thermoelasticity. The study aims to analyze wave characteristics, including dispersion, damping, and coupling effects, under these advanced thermoelastic theories. Our analysis reveals six possible plane harmonic in time waves: two uncoupled transverse waves and four coupled longitudinal waves. The transverse waves propagate independently, remain undamped over time, and exhibit dispersion due to size-dependent effects, resulting in reduced wave speeds. The longitudinal waves, influenced by thermal effects, experience dispersion and temporal damping. Among these, a quasi-elastic wave and a stationary quasi-thermal wave decay exponentially to zero over time, while the presence of one or two dilatational quasi-thermal waves depends on the phase-lag parameters. For surface waves in a semi-infinite nonlocal thermoelastic medium, we derive the dispersion relation and the secular equation under a traction-free boundary condition allowing heat exchange. Numerical simulations illustrate the influence of nonlocality and DPL effects on wave behavior. The results provide deeper insights into wave propagation characteristics in advanced thermoelastic media, which may have implications for material design and wave-based applications.

{"title":"On the plane and Rayleigh-type waves propagation in the context of nonlocal two-phase-lag thermoelasticity","authors":"Srijit Goswami,&nbsp;Nantu Sarkar","doi":"10.1007/s00339-025-08353-w","DOIUrl":"10.1007/s00339-025-08353-w","url":null,"abstract":"<div><p>The principle objective of this manuscript is to investigate the propagation of time-harmonic plane as well as surface wave in an infinite linear nonlocal thermoelastic medium occupied the whole space, assuming a known wavelength. For the thermodynamic response, we adopt the dual-phase-lag (DPL) heat conduction model of generalized thermoelasticity. The study aims to analyze wave characteristics, including dispersion, damping, and coupling effects, under these advanced thermoelastic theories. Our analysis reveals six possible plane harmonic in time waves: two uncoupled transverse waves and four coupled longitudinal waves. The transverse waves propagate independently, remain undamped over time, and exhibit dispersion due to size-dependent effects, resulting in reduced wave speeds. The longitudinal waves, influenced by thermal effects, experience dispersion and temporal damping. Among these, a quasi-elastic wave and a stationary quasi-thermal wave decay exponentially to zero over time, while the presence of one or two dilatational quasi-thermal waves depends on the phase-lag parameters. For surface waves in a semi-infinite nonlocal thermoelastic medium, we derive the dispersion relation and the secular equation under a traction-free boundary condition allowing heat exchange. Numerical simulations illustrate the influence of nonlocality and DPL effects on wave behavior. The results provide deeper insights into wave propagation characteristics in advanced thermoelastic media, which may have implications for material design and wave-based applications.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tuning of the structural, and dielectric properties of Ho3+ substituted in Ba2CoZnFe12 − xHoxO22 Y-type hexaferrite
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-28 DOI: 10.1007/s00339-025-08345-w
Farhan Haider, Muhammad Shahzad Shifa, Ghulam Hasnain Tariq, H. M. Noor ul Huda Khan Asghar, Muhammad Mehboob Alam, Ahmad Ali, Muhammad Azhar Khan, Zaheer Abbas Gilani, Muhammad Zubair Nawaz, Rajeh Alotaibi, Syed Mansoor Ali

The Y-type hexaferrite Ba2CoZnFe12 − xHoxO22 at x = 0.0, 0.025, 0.050, 0,075, and 0.1 was synthesized by using sol-gel auto-combustion method. The physical and dielectric characteristics of all hexagonal ferrites were investigated. Through XRD analysis the single-phase hexagonal structure without any impurities was identified. The crystallite size ranges from 39.27 nm to 56.11 nm. The production of the Y-type hexaferrites was confirmed by the Fourier-transform infrared (FTIR) study. Various dielectric parameters were evaluated at room temperature from 1 GHz to 6 GHz. These included dielectric constant, dielectric loss, AC conductivity, Quality Factor, Impedance, and Cole-Cole parameters. Ho-doped Y-type hexagonal ferrites’ conduction process was evaluated using Cole-Cole analysis. Until a certain point, holmium-substituted Y-type hexaferrites showed constant trends with frequency; after that, resonance-like behavior was seen. The dielectric properties of all hexaferrites initially decreased with frequency, followed by a nearly constant phase, and subsequently resonance-like behavior. As the Holmium content rose, the dielectric parameters initially dropped, but they eventually rose to the maximum substitution level. The dielectric experiments showed that all of the samples were insulators and that the AC conductivity dropped as the holmium concentration increased. Additionally, for a constant bias voltage supplied, the real component of the dielectric constant demonstrated a considerable reduction with increasing frequency. Ho-doped Y-type hexa ferrite at x = 0.025,0.050 and 0.1 was found to have the most promising properties for high-frequency applications because of their crystallite size.

{"title":"Tuning of the structural, and dielectric properties of Ho3+ substituted in Ba2CoZnFe12 − xHoxO22 Y-type hexaferrite","authors":"Farhan Haider,&nbsp;Muhammad Shahzad Shifa,&nbsp;Ghulam Hasnain Tariq,&nbsp;H. M. Noor ul Huda Khan Asghar,&nbsp;Muhammad Mehboob Alam,&nbsp;Ahmad Ali,&nbsp;Muhammad Azhar Khan,&nbsp;Zaheer Abbas Gilani,&nbsp;Muhammad Zubair Nawaz,&nbsp;Rajeh Alotaibi,&nbsp;Syed Mansoor Ali","doi":"10.1007/s00339-025-08345-w","DOIUrl":"10.1007/s00339-025-08345-w","url":null,"abstract":"<div><p>The Y-type hexaferrite Ba<sub>2</sub>CoZnFe<sub>12 − x</sub>Ho<sub>x</sub>O<sub>22</sub> at x = 0.0, 0.025, 0.050, 0,075, and 0.1 was synthesized by using sol-gel auto-combustion method. The physical and dielectric characteristics of all hexagonal ferrites were investigated. Through XRD analysis the single-phase hexagonal structure without any impurities was identified. The crystallite size ranges from 39.27 nm to 56.11 nm. The production of the Y-type hexaferrites was confirmed by the Fourier-transform infrared (FTIR) study. Various dielectric parameters were evaluated at room temperature from 1 GHz to 6 GHz. These included dielectric constant, dielectric loss, AC conductivity, Quality Factor, Impedance, and Cole-Cole parameters. Ho-doped Y-type hexagonal ferrites’ conduction process was evaluated using Cole-Cole analysis. Until a certain point, holmium-substituted Y-type hexaferrites showed constant trends with frequency; after that, resonance-like behavior was seen. The dielectric properties of all hexaferrites initially decreased with frequency, followed by a nearly constant phase, and subsequently resonance-like behavior. As the Holmium content rose, the dielectric parameters initially dropped, but they eventually rose to the maximum substitution level. The dielectric experiments showed that all of the samples were insulators and that the AC conductivity dropped as the holmium concentration increased. Additionally, for a constant bias voltage supplied, the real component of the dielectric constant demonstrated a considerable reduction with increasing frequency. Ho-doped Y-type hexa ferrite at x = 0.025,0.050 and 0.1 was found to have the most promising properties for high-frequency applications because of their crystallite size.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interpretable phase structure and hardness prediction of multi-principal element alloys through ensemble learning
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-27 DOI: 10.1007/s00339-025-08358-5
Xiaohui Li, Zicong Li, Chenghao Hou, Nan Zhou

Optimizing the phase structure is critical for enhancing the mechanical properties of multi-principal element alloys (MPEAs). This study employed a stacking strategy within machine learning to build an ensemble model aimed at improving the accuracy of MPEA phase structure prediction, with an emphasis on the interpretability of the results. By utilizing Pearson correlation coefficients and mutual information scores, the importance of five key features was analyzed: valence electron concentration, difference in electronegativity, difference in atomic radius, mixing entropy, and mixing enthalpy, and weights were assigned accordingly. These features were used as the input variables to train the ensemble learning models. After comparing various models, it was found that an ensemble comprising Random Forest, XGBoost, CatBoost, and logistic regression performed optimally, achieving an accuracy of 0.875 and F1 score of 0.8731. Experimental validation confirmed the reliability of the ensemble model’s predictions. Furthermore, to demonstrate the applicability of the proposed ensemble model to continuous datasets, experiments were conducted to predict the MPEA hardness. The results show that the model also predicted the MPEA hardness, indicating that ensemble learning algorithms can effectively handle different types of data in material property predictions. In summary, this study highlights the potential value of ensemble learning in material science. Finally, the method of the ensemble learning model guiding material composition design is discussed in detail, which provides technical support for MPEA design and broadens the application scope of such algorithms.

{"title":"Interpretable phase structure and hardness prediction of multi-principal element alloys through ensemble learning","authors":"Xiaohui Li,&nbsp;Zicong Li,&nbsp;Chenghao Hou,&nbsp;Nan Zhou","doi":"10.1007/s00339-025-08358-5","DOIUrl":"10.1007/s00339-025-08358-5","url":null,"abstract":"<div><p>Optimizing the phase structure is critical for enhancing the mechanical properties of multi-principal element alloys (MPEAs). This study employed a stacking strategy within machine learning to build an ensemble model aimed at improving the accuracy of MPEA phase structure prediction, with an emphasis on the interpretability of the results. By utilizing Pearson correlation coefficients and mutual information scores, the importance of five key features was analyzed: valence electron concentration, difference in electronegativity, difference in atomic radius, mixing entropy, and mixing enthalpy, and weights were assigned accordingly. These features were used as the input variables to train the ensemble learning models. After comparing various models, it was found that an ensemble comprising Random Forest, XGBoost, CatBoost, and logistic regression performed optimally, achieving an accuracy of 0.875 and F1 score of 0.8731. Experimental validation confirmed the reliability of the ensemble model’s predictions. Furthermore, to demonstrate the applicability of the proposed ensemble model to continuous datasets, experiments were conducted to predict the MPEA hardness. The results show that the model also predicted the MPEA hardness, indicating that ensemble learning algorithms can effectively handle different types of data in material property predictions. In summary, this study highlights the potential value of ensemble learning in material science. Finally, the method of the ensemble learning model guiding material composition design is discussed in detail, which provides technical support for MPEA design and broadens the application scope of such algorithms.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of microstructural, optical, and photocatalytic properties of sol–gel synthesized pristine SnO2 nanoscale particles
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-25 DOI: 10.1007/s00339-024-08221-z
Laouedj Nadjia, Elaziouti Abdelkader, Taibi Mohamed
<div><p>In this research work, tin oxide nanoparticles (SnO<sub>2</sub> NPs) was developed to assess its photocatalytic performance against degradation of Congo red (CR) azodye under UVA-light illumination. To achieve this objective, SnO<sub>2</sub> NPs was designed and synthesized via a sol–gel method using stannous chloride and oxalic acid dihydrate as precursors. The un-calcined sample heated at 80 °C for 4 h (labled as SnO<sub>2</sub>-80) and calcined catalysts at 450 °C and 650 °C for 4 h (identified <b>as</b> SnO<sub>2</sub>-450 and 650 °C, respectively) were subsequently characterized by various description techniques such as SEM, TGA-MS, XRD and UV-vi-DRS for their physicochemical properties. Here, numerous methods have been explored to estimate the crystallite size and strain in the SnO<sub>2</sub>-450 using X-ray peak profile analysis. XRD findings disclosed the formation of crystalized tetragonal-type SnO<sub>2</sub> phase with P4<sub>2</sub>/mnm space groupe symmetry. All methods provide crystallite sizes within 20–30 nm for SnO-450 NPs, excluding for LSL model (69.30 nm) which proved to be invalid crystal. Therefore, H-W model is efficient and most accurate for examining microstructural characteristics, since it gave the highest value of R<sup>2</sup> (0.9031) and a decreased intrinsic strain (2.2 × 10<sup>–3</sup>). Rietveld refinement, performed by HighScore plus software, on collected XRD patterns of SnO<sub>2</sub>-450 was robust and convergence was achieved, yielding to low Rp (9.39%), Rwp (12.19.00%) difference indices. The goodness of fit parameter χ<sup>2</sup> was found to be lower χ<sup>2</sup> (1.52%). The crystallite size, D<sub>XRD</sub> = 15.82818(8) nm and strain ε = 55.28 × 10<sup>–4</sup> were obtained. The band gap energy with a band gap of 3.35, 3.35 and 3.49 eV were obtained for the direc allowed electronic transitions at 80, 450 and 650 °C, respectively. An important blue shift in band gap from 3.35 eV (SnO<sub>2</sub>-450) to 3.49 eV (SnO<sub>2</sub>-650) with increasing the temperature from 450 to 650 °C was accredited to a strong quantum confinement. All the calcined samples exhibited a foamed nanostructural morphology with particles size of 400 nm and 750 nm-3 µm at calcination temperature of 450 and 650 °C, respectively. The impact of the calcination temperature on the particle size, band gap energy and adsorption efficiency showed temperature-dependent behavior while the photocatalytic process is practically not altered by operating temperature. The optimum efficiencies of 76.44, 62.45, 95.02 and 93.34% were achieved within 100 min under UVA-light using prepared SnO<sub>2</sub>-450 and CeO<sub>2</sub>-500 NPs and pristine ZnO and TiO<sub>2</sub> photocatalysts.Congo red degradation behaviors over different operating condition were in good agreement with the Langmuir–Hinshelwood kinetic model for pseudo first order reaction with optimal R<sup>2</sup> (R<sup>2</sup> = 0.0.881–0.97). Subsequently, the exceptio
在这项研究工作中,开发了氧化锡纳米粒子(SnO2 NPs),以评估其在 UVA 光照下降解刚果红(CR)偶氮染料的光催化性能。为实现这一目标,以氯化亚锡和草酸二水合物为前驱体,通过溶胶-凝胶法设计和合成了 SnO2 NPs。在 80 °C 下加热 4 小时的未煅烧样品(标记为 SnO2-80)和在 450 °C 和 650 °C 下煅烧 4 小时的催化剂(分别标记为 SnO2-450 和 650 °C)随后通过各种描述技术,如扫描电镜、TGA-MS、XRD 和 UV-viDRS 等,对其理化性质进行了表征。在此,我们探索了多种方法,利用 X 射线峰值轮廓分析来估计 SnO2-450 中的晶粒大小和应变。X 射线衍射研究结果表明,形成了具有 P42/mnm 空间群对称性的晶体化四方型 SnO2 相。除 LSL 模型(69.30 nm)被证明为无效晶体外,所有方法都能提供 20-30 nm 范围内的 SnO-450 NP 晶体尺寸。因此,H-W 模型是研究微观结构特征最有效和最准确的方法,因为它给出了最高的 R2 值(0.9031)和较低的本征应变(2.2 × 10-3)。利用 HighScore plus 软件对收集到的 SnO2-450 XRD 图样进行的里特维尔德细化是稳健的,并实现了收敛,产生了较低的 Rp(9.39%)和 Rwp(12.19.00%)差异指数。拟合优度参数 χ2 较低χ2(1.52%)。晶体尺寸 DXRD = 15.82818(8) nm,应变 ε = 55.28 × 10-4。在 80、450 和 650 °C 温度下,获得了带隙能,带隙分别为 3.35、3.35 和 3.49 eV。随着温度从 450 ℃升高到 650 ℃,带隙从 3.35 eV(SnO2-450)到 3.49 eV(SnO2-650)发生了重要的蓝移,这归因于强烈的量子约束。在 450 和 650 °C 煅烧温度下,所有煅烧样品都呈现出泡沫状纳米结构形态,颗粒大小分别为 400 nm 和 750 nm-3 µm。煅烧温度对颗粒大小、带隙能和吸附效率的影响表现出温度依赖性,而光催化过程几乎不受工作温度的影响。使用制备的 SnO2-450 和 CeO2-500 NPs 以及原始 ZnO 和 TiO2 光催化剂,在 UVA 光下 100 分钟内的最佳效率分别为 76.44%、62.45%、95.02% 和 93.34%。Congo 红在不同操作条件下的降解行为与假一阶反应的 Langmuir-Hinshelwood 动力学模型十分吻合,R2 为最佳值(R2 = 0.0.881-0.97)。因此,通过 ROS(-OH 和 O2--)的异相光催化机制可以协同地解释 SnO2-450 基光催化剂优于所有其他降解过程的卓越光催化能力和广泛应用、Sn4+/Sn2+氧化还原体系以及大量的氧空位和大的本征晶体缺陷(Sn4+-O 缺陷位点)作为主要氧化剂和氧化还原过程的最终驱动力,促进了 UVA 光的收集,有利于载流子的电荷分离,降低了重组率,从而提高了 SnO2-450 NPs 光催化剂的光催化效率。图表摘要
{"title":"Investigation of microstructural, optical, and photocatalytic properties of sol–gel synthesized pristine SnO2 nanoscale particles","authors":"Laouedj Nadjia,&nbsp;Elaziouti Abdelkader,&nbsp;Taibi Mohamed","doi":"10.1007/s00339-024-08221-z","DOIUrl":"10.1007/s00339-024-08221-z","url":null,"abstract":"&lt;div&gt;&lt;p&gt;In this research work, tin oxide nanoparticles (SnO&lt;sub&gt;2&lt;/sub&gt; NPs) was developed to assess its photocatalytic performance against degradation of Congo red (CR) azodye under UVA-light illumination. To achieve this objective, SnO&lt;sub&gt;2&lt;/sub&gt; NPs was designed and synthesized via a sol–gel method using stannous chloride and oxalic acid dihydrate as precursors. The un-calcined sample heated at 80 °C for 4 h (labled as SnO&lt;sub&gt;2&lt;/sub&gt;-80) and calcined catalysts at 450 °C and 650 °C for 4 h (identified &lt;b&gt;as&lt;/b&gt; SnO&lt;sub&gt;2&lt;/sub&gt;-450 and 650 °C, respectively) were subsequently characterized by various description techniques such as SEM, TGA-MS, XRD and UV-vi-DRS for their physicochemical properties. Here, numerous methods have been explored to estimate the crystallite size and strain in the SnO&lt;sub&gt;2&lt;/sub&gt;-450 using X-ray peak profile analysis. XRD findings disclosed the formation of crystalized tetragonal-type SnO&lt;sub&gt;2&lt;/sub&gt; phase with P4&lt;sub&gt;2&lt;/sub&gt;/mnm space groupe symmetry. All methods provide crystallite sizes within 20–30 nm for SnO-450 NPs, excluding for LSL model (69.30 nm) which proved to be invalid crystal. Therefore, H-W model is efficient and most accurate for examining microstructural characteristics, since it gave the highest value of R&lt;sup&gt;2&lt;/sup&gt; (0.9031) and a decreased intrinsic strain (2.2 × 10&lt;sup&gt;–3&lt;/sup&gt;). Rietveld refinement, performed by HighScore plus software, on collected XRD patterns of SnO&lt;sub&gt;2&lt;/sub&gt;-450 was robust and convergence was achieved, yielding to low Rp (9.39%), Rwp (12.19.00%) difference indices. The goodness of fit parameter χ&lt;sup&gt;2&lt;/sup&gt; was found to be lower χ&lt;sup&gt;2&lt;/sup&gt; (1.52%). The crystallite size, D&lt;sub&gt;XRD&lt;/sub&gt; = 15.82818(8) nm and strain ε = 55.28 × 10&lt;sup&gt;–4&lt;/sup&gt; were obtained. The band gap energy with a band gap of 3.35, 3.35 and 3.49 eV were obtained for the direc allowed electronic transitions at 80, 450 and 650 °C, respectively. An important blue shift in band gap from 3.35 eV (SnO&lt;sub&gt;2&lt;/sub&gt;-450) to 3.49 eV (SnO&lt;sub&gt;2&lt;/sub&gt;-650) with increasing the temperature from 450 to 650 °C was accredited to a strong quantum confinement. All the calcined samples exhibited a foamed nanostructural morphology with particles size of 400 nm and 750 nm-3 µm at calcination temperature of 450 and 650 °C, respectively. The impact of the calcination temperature on the particle size, band gap energy and adsorption efficiency showed temperature-dependent behavior while the photocatalytic process is practically not altered by operating temperature. The optimum efficiencies of 76.44, 62.45, 95.02 and 93.34% were achieved within 100 min under UVA-light using prepared SnO&lt;sub&gt;2&lt;/sub&gt;-450 and CeO&lt;sub&gt;2&lt;/sub&gt;-500 NPs and pristine ZnO and TiO&lt;sub&gt;2&lt;/sub&gt; photocatalysts.Congo red degradation behaviors over different operating condition were in good agreement with the Langmuir–Hinshelwood kinetic model for pseudo first order reaction with optimal R&lt;sup&gt;2&lt;/sup&gt; (R&lt;sup&gt;2&lt;/sup&gt; = 0.0.881–0.97). Subsequently, the exceptio","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143489492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The investigation of wrinkled ZnO as antireflective, protective, hydrophobic layer on the thermochromic VO2 films for smart windows
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-25 DOI: 10.1007/s00339-025-08351-y
Lijing Zhang, Hongli Sun, He Liu, Chenming Dong, Chunbo Li, Wei Mi, Di Wang, Linan He, Liwei Zhou

Vanadium dioxide (VO2) is commonly employed in smart windows for its excellent thermochromic properties. However, its limited luminous transmittance (Tlum) and insufficient solar modulation capability (ΔTsol) have severely limited its commercial application. In this study, the VO2 films are prepared through rapid thermal annealing of the sputtered vanadium film on the quartz glass substrate. Then the wrinkled ZnO films are prepared as the antireflection layer on top of the VO2 films using the sol-gel method. The light propagation path on the films surface is altered by the wrinkled topology, trapping most light within the ridges and valleys, while reducing reflection and increasing light transmittance. Compared with single-layer VO2 films, the wrinkled ZnO/VO2 bilayer structure can significantly increase Tlum from 33.3 to 47.7%, ΔTsol from 5.6 to 7.9%, and decreases phase transition temperature (Tt) from 57.35 °C to 50.34 °C, the thermal hysteresis width (ΔT) from 14.8 °C to 12.78 °C. Furthermore, this structure exhibits an excellent water contact angle of 97.36 °, with its hydrophobic properties allowing ZnO films to function as a protective layer. Even after being exposed to air at room temperature for 60 days, the bilayer structure can still maintain its initial thermochromic performance. The results of this study provide new possibilities for improving the performance of smart windows.

{"title":"The investigation of wrinkled ZnO as antireflective, protective, hydrophobic layer on the thermochromic VO2 films for smart windows","authors":"Lijing Zhang,&nbsp;Hongli Sun,&nbsp;He Liu,&nbsp;Chenming Dong,&nbsp;Chunbo Li,&nbsp;Wei Mi,&nbsp;Di Wang,&nbsp;Linan He,&nbsp;Liwei Zhou","doi":"10.1007/s00339-025-08351-y","DOIUrl":"10.1007/s00339-025-08351-y","url":null,"abstract":"<div><p>Vanadium dioxide (VO<sub>2</sub>) is commonly employed in smart windows for its excellent thermochromic properties. However, its limited luminous transmittance (T<sub>lum</sub>) and insufficient solar modulation capability (ΔT<sub>sol</sub>) have severely limited its commercial application. In this study, the VO<sub>2</sub> films are prepared through rapid thermal annealing of the sputtered vanadium film on the quartz glass substrate. Then the wrinkled ZnO films are prepared as the antireflection layer on top of the VO<sub>2</sub> films using the sol-gel method. The light propagation path on the films surface is altered by the wrinkled topology, trapping most light within the ridges and valleys, while reducing reflection and increasing light transmittance. Compared with single-layer VO<sub>2</sub> films, the wrinkled ZnO/VO<sub>2</sub> bilayer structure can significantly increase T<sub>lum</sub> from 33.3 to 47.7%, ΔT<sub>sol</sub> from 5.6 to 7.9%, and decreases phase transition temperature (T<sub>t</sub>) from 57.35 °C to 50.34 °C, the thermal hysteresis width (ΔT) from 14.8 °C to 12.78 °C. Furthermore, this structure exhibits an excellent water contact angle of 97.36 °, with its hydrophobic properties allowing ZnO films to function as a protective layer. Even after being exposed to air at room temperature for 60 days, the bilayer structure can still maintain its initial thermochromic performance. The results of this study provide new possibilities for improving the performance of smart windows.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Microwave-driven eco-friendly fabrication of CuZrO3@GNP for superior asymmetric energy storage devices
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-25 DOI: 10.1007/s00339-025-08348-7
J. John Benitto, J. Judith Vijaya, B. Saravanakumar, L. John Kennedy

Supercapacitors (SCs) are ideal for high-power applications due to their rapid power delivery. The performance of SCs hinges on innovative electrode materials. This study presents the fabrication of a CuZrO3 and graphene nanoplatelets (GNP) composite via a microwave-assisted, eco-friendly method. Structural and morphological analyses were conducted using XRD, FT-IR, FT-Raman, UV-DRS, SEM, EDX, HRTEM and N2 adsorption/desorption. Electrochemical tests on CuZrO3 and CuZrO3@GNP revealed high capacitance (405.5 Fg −1), excellent rate performance, and good cyclic stability. An asymmetric supercapacitor using CuZrO3@GNP was also fabricated and tested, showing a specific capacitance of 38.01 Fg −1, low charge transfer resistance, and robust cyclic performance. Comparative analysis with existing literature highlights the superior performance of this composite material in terms of specific capacitance and stability. This study demonstrates the potential of the CuZrO3@GNP nanocomposite for developing advanced SCs electrode materials.

{"title":"Microwave-driven eco-friendly fabrication of CuZrO3@GNP for superior asymmetric energy storage devices","authors":"J. John Benitto,&nbsp;J. Judith Vijaya,&nbsp;B. Saravanakumar,&nbsp;L. John Kennedy","doi":"10.1007/s00339-025-08348-7","DOIUrl":"10.1007/s00339-025-08348-7","url":null,"abstract":"<div><p>Supercapacitors (SCs) are ideal for high-power applications due to their rapid power delivery. The performance of SCs hinges on innovative electrode materials. This study presents the fabrication of a CuZrO<sub>3</sub> and graphene nanoplatelets (GNP) composite via a microwave-assisted, eco-friendly method. Structural and morphological analyses were conducted using XRD, FT-IR, FT-Raman, UV-DRS, SEM, EDX, HRTEM and N<sub>2</sub> adsorption/desorption. Electrochemical tests on CuZrO<sub>3</sub> and CuZrO<sub>3</sub>@GNP revealed high capacitance (405.5 Fg <sup>−1</sup>), excellent rate performance, and good cyclic stability. An asymmetric supercapacitor using CuZrO<sub>3</sub>@GNP was also fabricated and tested, showing a specific capacitance of 38.01 Fg <sup>−1</sup>, low charge transfer resistance, and robust cyclic performance. Comparative analysis with existing literature highlights the superior performance of this composite material in terms of specific capacitance and stability. This study demonstrates the potential of the CuZrO<sub>3</sub>@GNP nanocomposite for developing advanced SCs electrode materials.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of rotational dynamics and initial stress on an elastic sphere with size-dependent double porosity
IF 2.5 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-02-24 DOI: 10.1007/s00339-025-08331-2
Nisha Rana, Dinesh Kumar Sharma, Anshu Sharma, Nivedita Sharma, Nantu Sarkar

The main objective of this manuscript is to conduct a comprehensive analysis of the intricate interaction between rotation and initial stress in a nonlocal elastic spherical structure characterized by dual porosity. The influence of rotation and initial stress is examined both in the presence and absence of the nonlocal elasticity effect on the elastic sphere with dual porosity. A technique based on time-harmonic variations is applied to the governing equations, simplifying them into ordinary differential equations. The analytical results, computed using MATLAB software, provide a detailed examination of the response of the nonlocal elastic sphere to rotation and initial stress. A numerical iteration method is employed for the free vibration analysis, presenting the natural frequencies in tabular form according to mode numbers. Computer simulations offer graphical representations of frequency shifts in relation to mode numbers, comparing nonlocal and local elastic spheres. The study illustrates the variations in field functions with respect to the radius, considering the effects of rotation and initial stress. Graphical presentations indicate that as the rotation factor increases, the variations exhibit more pronounced behaviors. Motivated by its relevance to engineering and geotechnical applications, this research aims to deepen our understanding of these interactions, contributing valuable insights for the optimization and design of structures across various fields.

{"title":"Influence of rotational dynamics and initial stress on an elastic sphere with size-dependent double porosity","authors":"Nisha Rana,&nbsp;Dinesh Kumar Sharma,&nbsp;Anshu Sharma,&nbsp;Nivedita Sharma,&nbsp;Nantu Sarkar","doi":"10.1007/s00339-025-08331-2","DOIUrl":"10.1007/s00339-025-08331-2","url":null,"abstract":"<div><p>The main objective of this manuscript is to conduct a comprehensive analysis of the intricate interaction between rotation and initial stress in a nonlocal elastic spherical structure characterized by dual porosity. The influence of rotation and initial stress is examined both in the presence and absence of the nonlocal elasticity effect on the elastic sphere with dual porosity. A technique based on time-harmonic variations is applied to the governing equations, simplifying them into ordinary differential equations. The analytical results, computed using MATLAB software, provide a detailed examination of the response of the nonlocal elastic sphere to rotation and initial stress. A numerical iteration method is employed for the free vibration analysis, presenting the natural frequencies in tabular form according to mode numbers. Computer simulations offer graphical representations of frequency shifts in relation to mode numbers, comparing nonlocal and local elastic spheres. The study illustrates the variations in field functions with respect to the radius, considering the effects of rotation and initial stress. Graphical presentations indicate that as the rotation factor increases, the variations exhibit more pronounced behaviors. Motivated by its relevance to engineering and geotechnical applications, this research aims to deepen our understanding of these interactions, contributing valuable insights for the optimization and design of structures across various fields.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Applied Physics A
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