Journal of Materiomics最新文献_第8页

Layered oxyiodide CdBiO2I: An efficient visible light responsive and scalable photocatalyst

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-10 DOI: 10.1016/j.jmat.2024.100928

Weishan Zheng , Zijian Zhu , Rui Sha , Shuchen Tu , Hongwei Huang

Developing high-performance visible-light driven photocatalyst (λ ≥ 420 nm) makes significance for the efficient utilization of solar energy. Mass production and easy recycling are equally important for the practical application of powdery photocatalyst. However, it is challenging to meet the above requirements at the same time. In this work, we develop an efficient visible-light responsive layered oxyiodide CdBiO₂I nanosheets prepared by a facile direct precipitation method at ambient atmosphere, and demonstrate its upgradable features well fitting potential application. CdBiO₂I has a layered crystal structure consisting of [CdBiO₂]⁺ layer and I⁻ single layer, differing from that of BiOI composed of [BiO₂]²⁺ layer and I⁻ double layers. It displays an absorption edge of 520 nm in visible region, with a band gap of 2.52 eV CdBiO₂I has a large intrinsic effective mass difference of hole/electron, exceeding BiOI by 8-fold, which results in much higher charge separation efficiency and production of more reactive species (superoxide radicals and holes). The degradation efficiency of CdBiO₂I nanosheets for tetracycline hydrochloride reaches 84% under the visible light irradiation within 1 h, in which the degradation rate is 10 times that of BiOI. In addition, mass production (12 g catalyst at one time) and immobilization onto porous polyurethane foam of CdBiO₂I powder are also demonstrated, which indicates the scalable properties and easy recovery of the catalyst, highlighting the advantages of the current preparation method and prefiguring its potential in practical applications. This work may enlighten future research on the exploitation of solar-driven catalyst with high efficiency and strong practical applicability.

{"title":"Layered oxyiodide CdBiO2I: An efficient visible light responsive and scalable photocatalyst","authors":"Weishan Zheng , Zijian Zhu , Rui Sha , Shuchen Tu , Hongwei Huang","doi":"10.1016/j.jmat.2024.100928","DOIUrl":"10.1016/j.jmat.2024.100928","url":null,"abstract":"<div><div>Developing high-performance visible-light driven photocatalyst (λ ≥ 420 nm) makes significance for the efficient utilization of solar energy. Mass production and easy recycling are equally important for the practical application of powdery photocatalyst. However, it is challenging to meet the above requirements at the same time. In this work, we develop an efficient visible-light responsive layered oxyiodide CdBiO2I nanosheets prepared by a facile direct precipitation method at ambient atmosphere, and demonstrate its upgradable features well fitting potential application. CdBiO2I has a layered crystal structure consisting of [CdBiO2]+ layer and I− single layer, differing from that of BiOI composed of [BiO2]2+ layer and I− double layers. It displays an absorption edge of 520 nm in visible region, with a band gap of 2.52 eV CdBiO2I has a large intrinsic effective mass difference of hole/electron, exceeding BiOI by 8-fold, which results in much higher charge separation efficiency and production of more reactive species (superoxide radicals and holes). The degradation efficiency of CdBiO2I nanosheets for tetracycline hydrochloride reaches 84% under the visible light irradiation within 1 h, in which the degradation rate is 10 times that of BiOI. In addition, mass production (12 g catalyst at one time) and immobilization onto porous polyurethane foam of CdBiO2I powder are also demonstrated, which indicates the scalable properties and easy recovery of the catalyst, highlighting the advantages of the current preparation method and prefiguring its potential in practical applications. This work may enlighten future research on the exploitation of solar-driven catalyst with high efficiency and strong practical applicability.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100928"},"PeriodicalIF":8.4,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Enhancement in conduction loss induced by morphology engineering for excellent electromagnetic wave absorption

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-08 DOI: 10.1016/j.jmat.2024.100927

Qing Chang , Zijun Xie , Geng Chen , Zijing Li , Yujin Duan , Bin Shi , Hongjing Wu

Understanding the microstructure-property relationship from the microscopic and macroscopic perspectives, instead of semi-empirical rules, can facilitate the design of microcosmic morphology to adjust the impedance matching and dielectric loss of the carbon-based materials, which are still lacking so far. In this study, a clear correlation between microstructure and conduction loss was revealed in agarose-derived carbon using a facile salt-etching strategy, in which ferric nitrate acted more as a morphology modifier for bulky carbon rather than a component regulator. Specifically, with the increasing amount of ferric nitrate, the original smooth bulky carbon was etched with caves, which gradually enlarged in size and depth and thus thinned in wall, and eventually transformed into a three-dimensional (3D) interconnected cellular structure, accompanied by a gradual increase in conductivity. Benefiting from the optimal impedance matching and strong conduction loss originating from the unique 3D cellular structure of agarose-derived carbon, AF-3 exhibited super-wide and strong absorption with an effective absorption bandwidth of 7.28 GHz (10.32–17.60 GHz, 2.9 mm) and a minimum reflection loss of −46.6 dB (15.6 GHz, 2.5 mm). This study establishes the relationship between microstructure, dielectric properties, and loss mechanism in carbon-based materials and also provides a new insight into the fine modulation of EMW-absorbing properties from morphological design.

{"title":"Enhancement in conduction loss induced by morphology engineering for excellent electromagnetic wave absorption","authors":"Qing Chang , Zijun Xie , Geng Chen , Zijing Li , Yujin Duan , Bin Shi , Hongjing Wu","doi":"10.1016/j.jmat.2024.100927","DOIUrl":"10.1016/j.jmat.2024.100927","url":null,"abstract":"<div><div>Understanding the microstructure-property relationship from the microscopic and macroscopic perspectives, instead of semi-empirical rules, can facilitate the design of microcosmic morphology to adjust the impedance matching and dielectric loss of the carbon-based materials, which are still lacking so far. In this study, a clear correlation between microstructure and conduction loss was revealed in agarose-derived carbon using a facile salt-etching strategy, in which ferric nitrate acted more as a morphology modifier for bulky carbon rather than a component regulator. Specifically, with the increasing amount of ferric nitrate, the original smooth bulky carbon was etched with caves, which gradually enlarged in size and depth and thus thinned in wall, and eventually transformed into a three-dimensional (3D) interconnected cellular structure, accompanied by a gradual increase in conductivity. Benefiting from the optimal impedance matching and strong conduction loss originating from the unique 3D cellular structure of agarose-derived carbon, AF-3 exhibited super-wide and strong absorption with an effective absorption bandwidth of 7.28 GHz (10.32–17.60 GHz, 2.9 mm) and a minimum reflection loss of −46.6 dB (15.6 GHz, 2.5 mm). This study establishes the relationship between microstructure, dielectric properties, and loss mechanism in carbon-based materials and also provides a new insight into the fine modulation of EMW-absorbing properties from morphological design.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100927"},"PeriodicalIF":8.4,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

High breakdown electric field and ultralow loss in Sb+Ho co-doped TiO2 giant dielectric ceramics induced by strongly coupled defect clusters

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-07 DOI: 10.1016/j.jmat.2024.07.008

Jiangtao Fan , Langxiang Zhong , Tiantian Yang , Zhanggui Hu

Achieving a large dielectric constant and high breakdown electric field simultaneously has been a hot and difficult topic for co-doped TiO₂ ceramics. In this study, (Sb_0.5Ho_0.5)_xTi_1–xO₂ (SHTOx, x = 0, 0.01, 0.02, 0.04 and 0.06) ceramics with strongly coupled defect clusters were prepared to improving the dielectric and breakdown properties. In particular, the SHTO0.01 ceramic exhibits CP (ε′ = 1.61 × 10⁴, 1 kHz), ultralow loss (tanδ = 0.0037, 1 kHz), excellent DC bias (0–400 V/cm) and thermal stability (Δε′/ε′_25 °C ≤ ±15% at 1 kHz, −145 to 215 °C). Besides, high dielectric breakdown properties (E_b ∼2.287 kV/cm and α = 7.24) was also achieved. Meanwhile, the mechanism of achieving excellent overall properties was deeply explored by XPS, UDR law, impedance spectroscopy and relaxation behavior analysis. The high dielectric and breakdown field strength performances mainly originate from the strongly coupled defective dipole clusters and the highly insulating grain boundaries as well as electrode-ceramic interfaces, which synergistically restrict the long-range movement of free electrons. This research indicates that the construction of defect clusters with strong coupling is an effective approach towards obtaining CP ceramics with ultra-low loss and high breakdown field strength performances.

{"title":"High breakdown electric field and ultralow loss in Sb+Ho co-doped TiO2 giant dielectric ceramics induced by strongly coupled defect clusters","authors":"Jiangtao Fan , Langxiang Zhong , Tiantian Yang , Zhanggui Hu","doi":"10.1016/j.jmat.2024.07.008","DOIUrl":"10.1016/j.jmat.2024.07.008","url":null,"abstract":"<div><div>Achieving a large dielectric constant and high breakdown electric field simultaneously has been a hot and difficult topic for co-doped TiO2 ceramics. In this study, (Sb0.5Ho0.5)xTi1–xO2 (SHTOx, x = 0, 0.01, 0.02, 0.04 and 0.06) ceramics with strongly coupled defect clusters were prepared to improving the dielectric and breakdown properties. In particular, the SHTO0.01 ceramic exhibits CP (ε′ = 1.61 × 104, 1 kHz), ultralow loss (tanδ = 0.0037, 1 kHz), excellent DC bias (0–400 V/cm) and thermal stability (Δε′/ε′25 °C ≤ ±15% at 1 kHz, −145 to 215 °C). Besides, high dielectric breakdown properties (Eb ∼2.287 kV/cm and α = 7.24) was also achieved. Meanwhile, the mechanism of achieving excellent overall properties was deeply explored by XPS, UDR law, impedance spectroscopy and relaxation behavior analysis. The high dielectric and breakdown field strength performances mainly originate from the strongly coupled defective dipole clusters and the highly insulating grain boundaries as well as electrode-ceramic interfaces, which synergistically restrict the long-range movement of free electrons. This research indicates that the construction of defect clusters with strong coupling is an effective approach towards obtaining CP ceramics with ultra-low loss and high breakdown field strength performances.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100923"},"PeriodicalIF":8.4,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Spin-coated BiFeO3 films on Si wafers: Low processing temperature but prominent piezoelectricity

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-03 DOI: 10.1016/j.jmat.2024.07.010

Jiaojiao Yi , Yining Zhai , Yue-yu-shan Cheng , Liang Shu , Dawei Zhang , Jing-Feng Li , Lisha Liu

The direct integration of crystalline oxide layers with industrial Si substrate, specifically compatible with CMOS technology, requires the development of relatively simple, low-temperature processing routes below 450 °C. Here, a novel nonstoichiometric approach is proposed to achieve fabrication of BiFeO₃ films at 450 °C. Of particular importance is that, a saturation and remnant polarization of ∼80 μC/cm² and ∼60 μC/cm² and a strain as large as 1% are obtained. This strain stands as one of the most impressive values reported for thin films, comparable to the most superior strain obtained in ferroelectric films fabricated at temperatures exceeding 700 °C. The current work provides a new paradigm with significant simplicity and novel efficacy in reducing processing temperatures, as well offers a promising material for memory and piezo-driven actuating applications, especially meeting the increasing demand for precision position control systems at the nanometer scale.

{"title":"Spin-coated BiFeO3 films on Si wafers: Low processing temperature but prominent piezoelectricity","authors":"Jiaojiao Yi , Yining Zhai , Yue-yu-shan Cheng , Liang Shu , Dawei Zhang , Jing-Feng Li , Lisha Liu","doi":"10.1016/j.jmat.2024.07.010","DOIUrl":"10.1016/j.jmat.2024.07.010","url":null,"abstract":"<div><div>The direct integration of crystalline oxide layers with industrial Si substrate, specifically compatible with CMOS technology, requires the development of relatively simple, low-temperature processing routes below 450 °C. Here, a novel nonstoichiometric approach is proposed to achieve fabrication of BiFeO3 films at 450 °C. Of particular importance is that, a saturation and remnant polarization of ∼80 μC/cm2 and ∼60 μC/cm2 and a strain as large as 1% are obtained. This strain stands as one of the most impressive values reported for thin films, comparable to the most superior strain obtained in ferroelectric films fabricated at temperatures exceeding 700 °C. The current work provides a new paradigm with significant simplicity and novel efficacy in reducing processing temperatures, as well offers a promising material for memory and piezo-driven actuating applications, especially meeting the increasing demand for precision position control systems at the nanometer scale.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100925"},"PeriodicalIF":8.4,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Exploring high-performance environmental barrier coatings for rare earth silicates: A combined approach of first principles calculations and machine learning

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-03 DOI: 10.1016/j.jmat.2024.07.006

Yun Fan , Yuelei Bai , Zhiyao Lu , Zhaoxu Sun , Yuchen Liu , Simiao Sha , Yiran Li , Bin Liu

RE₂Si₂O₇ is promising materials for environmental barrier coating (EBC), but the vast phase space poses challenges for the screening of RE₂Si₂O_7. It follows that a combined approach of first principles calculations and machine learning is proposed for this problem, with establishing a comprehensive database comprising β-, γ- and δ-RE₂Si₂O₇ (RE = La–Lu, Y, Sc) and correlating their mechanical/thermal properties on structural characteristics. It is revealed the [O₃SiOSiO₃] structure and polyhedron distortion affect mechanical properties of RE₂Si₂O₇, while criteria for selecting RE₂Si₂O₇ with low thermal conductivity are identified, including complex crystal structures, chemical bond inhomogeneity, and strong non-harmonic lattice vibrations. Also, the machine learning model accurately predicts the coefficient of thermal expansion (CTE) and minimum thermal conductivity (λ_min) of RE₂Si₂O₇, with volume and mass variations identified as critical factors, respectively. This integrated approach efficiently screens RE₂Si₂O₇ for EBC application and enables rapid assessments of their thermal properties.

{"title":"Exploring high-performance environmental barrier coatings for rare earth silicates: A combined approach of first principles calculations and machine learning","authors":"Yun Fan , Yuelei Bai , Zhiyao Lu , Zhaoxu Sun , Yuchen Liu , Simiao Sha , Yiran Li , Bin Liu","doi":"10.1016/j.jmat.2024.07.006","DOIUrl":"10.1016/j.jmat.2024.07.006","url":null,"abstract":"<div><div>RE2Si2O7 is promising materials for environmental barrier coating (EBC), but the vast phase space poses challenges for the screening of RE2Si2O7. It follows that a combined approach of first principles calculations and machine learning is proposed for this problem, with establishing a comprehensive database comprising β-, γ- and δ-RE2Si2O7 (RE = La–Lu, Y, Sc) and correlating their mechanical/thermal properties on structural characteristics. It is revealed the [O3Si<img>O<img>SiO3] structure and polyhedron distortion affect mechanical properties of RE2Si2O7, while criteria for selecting RE2Si2O7 with low thermal conductivity are identified, including complex crystal structures, chemical bond inhomogeneity, and strong non-harmonic lattice vibrations. Also, the machine learning model accurately predicts the coefficient of thermal expansion (CTE) and minimum thermal conductivity (λmin) of RE2Si2O7, with volume and mass variations identified as critical factors, respectively. This integrated approach efficiently screens RE2Si2O7 for EBC application and enables rapid assessments of their thermal properties.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100921"},"PeriodicalIF":8.4,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Structure and microwave dielectric characteristics of (Ba,Sr,Ca)HfO3 ceramics

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-02 DOI: 10.1016/j.jmat.2024.07.009

Xi Wang, Yi Han Ding, Xiao Li Zhu, Lei Li, Xiang Ming Chen

In the present work, the structure and microwave dielectric properties of (Ba,Sr,Ca)HfO₃ ceramics were systematically investigated to understand the general mechanism of tuning the temperature coefficient of resonant frequency, τ_f in perovskite ceramics. Ba_1–xSr_xHfO₃ and Sr_1–yCa_yHfO₃ could form continuous solid solutions while the solid solubility of Ca in Ba_1–yCa_yHfO₃ was about 20% (in mole). τ_f changed nonlinearly with increasing tolerance factor as the result of competition between the increase in the restoring force on the ions and the increase in polarizability. Under the guidance of three microscopic mechanisms affecting τ_f, a preliminary attempt was made to explore the suitable parameters to predict the variation trend of τ_f. Normalized ionic radii and the τ_f values of the end members were selected as independent variables, and τ_f was calculated by using multiple linear regression method. For Ba_1–xSr_xHfO₃ and Sr_1–yCa_yHfO₃ with orthorhombic structures, the root mean square error between the calculated and measured τ_f was only 6.8 × 10⁻⁶ °C⁻¹. The good agreement between the calculated τ_f values and the measured ones in Ba_1–x–ySr_xCa_yHfO₃ ceramics confirmed its validity where three elements jointly occupy A-site, but it only works when there is no structural phase transition. Progresses in this research field would not only deepen our understanding of mechanism of regulating properties in multi-ion solid solutions, but also boost the developments of closely related fields such as machine learning-assisted design and high-entropy ceramics. Finally, a good combination of microwave dielectric properties was achieved in Sr_0.15Ca_0.85Hf_0.96Ti_0.040O₃: ε_r = 27.8, Qf = 36,470 GHz, τ_f = +5 × 10⁻⁶ °C⁻¹.

{"title":"Structure and microwave dielectric characteristics of (Ba,Sr,Ca)HfO3 ceramics","authors":"Xi Wang, Yi Han Ding, Xiao Li Zhu, Lei Li, Xiang Ming Chen","doi":"10.1016/j.jmat.2024.07.009","DOIUrl":"10.1016/j.jmat.2024.07.009","url":null,"abstract":"<div><div>In the present work, the structure and microwave dielectric properties of (Ba,Sr,Ca)HfO3 ceramics were systematically investigated to understand the general mechanism of tuning the temperature coefficient of resonant frequency, τf in perovskite ceramics. Ba1–xSrxHfO3 and Sr1–yCayHfO3 could form continuous solid solutions while the solid solubility of Ca in Ba1–yCayHfO3 was about 20% (in mole). τf changed nonlinearly with increasing tolerance factor as the result of competition between the increase in the restoring force on the ions and the increase in polarizability. Under the guidance of three microscopic mechanisms affecting τf, a preliminary attempt was made to explore the suitable parameters to predict the variation trend of τf. Normalized ionic radii and the τf values of the end members were selected as independent variables, and τf was calculated by using multiple linear regression method. For Ba1–xSrxHfO3 and Sr1–yCayHfO3 with orthorhombic structures, the root mean square error between the calculated and measured τf was only 6.8 × 10−6 °C−1. The good agreement between the calculated τf values and the measured ones in Ba1–x–ySrxCayHfO3 ceramics confirmed its validity where three elements jointly occupy A-site, but it only works when there is no structural phase transition. Progresses in this research field would not only deepen our understanding of mechanism of regulating properties in multi-ion solid solutions, but also boost the developments of closely related fields such as machine learning-assisted design and high-entropy ceramics. Finally, a good combination of microwave dielectric properties was achieved in Sr0.15Ca0.85Hf0.96Ti0.040O3: εr = 27.8, Qf = 36,470 GHz, τf = +5 × 10−6 °C−1.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100924"},"PeriodicalIF":8.4,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Large ferroelectric polarization and high dielectric constant in HfO2-based thin films via Hf0.5Zr0.5O2/ZrO2 nanobilayer engineering

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-08-02 DOI: 10.1016/j.jmat.2024.07.007

Lei Liu , Chengfeng Jiang , Xi Yuan , Yan Zhang , Haiyan Chen , Dou Zhang

HfO₂-based ferroelectric films have been extensively explored and utilized in the field of non-volatile memory and electrical programmability. However, the trade-off between ferroelectric polarization and dielectric constant in HfO₂ has limited the overall performance improvement of devices in practical applications. Herein, a novel approach is proposed for the Hf_0.5Zr_0.5O₂/ZrO₂ (HZO/ZrO₂) nanobilayer engineering, which can effectively regulate the phase structure evolution of HfO₂ films to construct a suitable morphotropic phase boundary (MPB). The findings highlight that the top ZrO₂ layer can regularly promote the formation of either the ferroelectric o-phase or the antiferroelectric t-phase. An ideal MPB is successfully established in HZO/ZrO₂ (6/9 nm) nanobilayer film by carefully optimizing the HZO/ZrO₂ thickness ratio, which presents a high dielectric constant of 52.7 and a large 2P_r value of up to 72.3 μC/cm² without any wake-up operation. Moreover, the HZO/ZrO₂ nanobilayer thin films demonstrate faster polarization switching speed (1.09 μs) and better fatigue performance (10⁹ cycles) compared to the conventional HZO solid solution films. The relationship between ferroelectric and dielectric properties can be harmoniously balanced through the designation. The results indicate that the HZO/ZrO₂ nanobilayer engineering strategy is quite potential to pave the way for the development of next-generation memory technologies with superior performance and reliability.

{"title":"Large ferroelectric polarization and high dielectric constant in HfO2-based thin films via Hf0.5Zr0.5O2/ZrO2 nanobilayer engineering","authors":"Lei Liu , Chengfeng Jiang , Xi Yuan , Yan Zhang , Haiyan Chen , Dou Zhang","doi":"10.1016/j.jmat.2024.07.007","DOIUrl":"10.1016/j.jmat.2024.07.007","url":null,"abstract":"<div><div>HfO2-based ferroelectric films have been extensively explored and utilized in the field of non-volatile memory and electrical programmability. However, the trade-off between ferroelectric polarization and dielectric constant in HfO2 has limited the overall performance improvement of devices in practical applications. Herein, a novel approach is proposed for the Hf0.5Zr0.5O2/ZrO2 (HZO/ZrO2) nanobilayer engineering, which can effectively regulate the phase structure evolution of HfO2 films to construct a suitable morphotropic phase boundary (MPB). The findings highlight that the top ZrO2 layer can regularly promote the formation of either the ferroelectric o-phase or the antiferroelectric t-phase. An ideal MPB is successfully established in HZO/ZrO2 (6/9 nm) nanobilayer film by carefully optimizing the HZO/ZrO2 thickness ratio, which presents a high dielectric constant of 52.7 and a large 2Pr value of up to 72.3 μC/cm2 without any wake-up operation. Moreover, the HZO/ZrO2 nanobilayer thin films demonstrate faster polarization switching speed (1.09 μs) and better fatigue performance (109 cycles) compared to the conventional HZO solid solution films. The relationship between ferroelectric and dielectric properties can be harmoniously balanced through the designation. The results indicate that the HZO/ZrO2 nanobilayer engineering strategy is quite potential to pave the way for the development of next-generation memory technologies with superior performance and reliability.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100922"},"PeriodicalIF":8.4,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Partially oxidized Ti3–yNbyC2Tx MXene nanosheets as efficient sulfur hosts and separator modification for LiS batteries

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-07-31 DOI: 10.1016/j.jmat.2024.07.005

Qiang Wang , Bin Deng , Xiao Zhang , Linyu Cao , Kewen Wang , Wei Yao , Chi Chen , Hang Zhao , Jianguang Xu

MXenes hold significant potential in lithium-sulfur (LiS) battery applications due to its robust polysulfide adsorption and catalytic effect on polysulfide transformation achieved by adjustable transition metals and surface functional groups. Introduction of heteroatoms can prompt an electron distribution and refine MXenes surface structure, thereby substantially enhancing its electrochemical capabilities. Herein, partially oxidized Ti_3–yNb_yC₂T_x (OTi_3–yNb_yC₂T_x) heterostructure has been prepared by in-situ oxidization of Ti_3–yNb_yC₂T_x MXene in anhydrous ethanol. The incorporation of niobium (Nb) species within the Ti₃C₂T_x matrix plays a pivotal role: augmenting the catalytic conversion of polysulfides and concurrently fortifying the cyclic stability of the electrode constituents. When employed in LiS batteries separator and cathode, it delivers impressive rate performance and durability. The OTi_2.7Nb_0.3C₂T_x/S cathode exhibits an initial discharge capacity of 1260 mA⋅h/g at a current density of 0.1 C, and a minuscule capacity decay rate of a mere 0.029% per cycle over 2000 cycles at 1C. Even at a significantly elevated current density of 4 C, an appreciable capacity of 640 mA⋅h/g is sustained. This research opens new avenues to explore MXene heterostructures with both superior electrocatalytic and adsorption properties for alkali metal-S batteries.

{"title":"Partially oxidized Ti3–yNbyC2Tx MXene nanosheets as efficient sulfur hosts and separator modification for LiS batteries","authors":"Qiang Wang , Bin Deng , Xiao Zhang , Linyu Cao , Kewen Wang , Wei Yao , Chi Chen , Hang Zhao , Jianguang Xu","doi":"10.1016/j.jmat.2024.07.005","DOIUrl":"10.1016/j.jmat.2024.07.005","url":null,"abstract":"<div><div>MXenes hold significant potential in lithium-sulfur (Li<img>S) battery applications due to its robust polysulfide adsorption and catalytic effect on polysulfide transformation achieved by adjustable transition metals and surface functional groups. Introduction of heteroatoms can prompt an electron distribution and refine MXenes surface structure, thereby substantially enhancing its electrochemical capabilities. Herein, partially oxidized Ti3–yNbyC2Tx (O<img>Ti3–yNbyC2Tx) heterostructure has been prepared by in-situ oxidization of Ti3–yNbyC2Tx MXene in anhydrous ethanol. The incorporation of niobium (Nb) species within the Ti3C2Tx matrix plays a pivotal role: augmenting the catalytic conversion of polysulfides and concurrently fortifying the cyclic stability of the electrode constituents. When employed in Li<img>S batteries separator and cathode, it delivers impressive rate performance and durability. The O<img>Ti2.7Nb0.3C2Tx/S cathode exhibits an initial discharge capacity of 1260 mA⋅h/g at a current density of 0.1 C, and a minuscule capacity decay rate of a mere 0.029% per cycle over 2000 cycles at 1C. Even at a significantly elevated current density of 4 C, an appreciable capacity of 640 mA⋅h/g is sustained. This research opens new avenues to explore MXene heterostructures with both superior electrocatalytic and adsorption properties for alkali metal-S batteries.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100920"},"PeriodicalIF":8.4,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

High performance composite phosphor-in-glass film for laser-driven warm white light on patterned sapphire substrate

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-07-30 DOI: 10.1016/j.jmat.2024.04.014

Wenting Ding , Shuai Yang , Xin Hou , Tao Yang , Rongbin Xu , Yang Mei , Leiying Ying , Miao Lu , Baoping Zhang

Phosphor-in-glass film (PiF) based on sapphire substrate (SS) is a promising laser-driven color converter. Herein, by using an optimized silicon borate glass component, high-performance Y₃Al₅O₁₂:Ce³⁺ PiFs are successfully prepared on both flat sapphire substrate (FSS) and patterned sapphire substrate (PSS) surfaces. Compared with planar structure of FSS, PSS has a periodic arrangement of conical structures on its surface, which effectively increases the contact area between the PiF and the substrate by approximately 56%, thereby forming a more robust film composite structure. The blue laser light is affected by the structure of PSS and produces a typical diffraction effect, which realizes the dispersion of the convergent beam. This significantly expands the laser spot on PSS-PiF and improves the uniformity of light. The saturation power density of PiF-PSS (6.29 W/mm²) is found to be 91% higher than that of PiF-FSS, while maintaining a high luminous efficiency (220 lm/W) and a low correlated color temperature (4500 K). Finally, the thermal quenching mechanism of PiF with different substrate surface morphologies is compared and analyzed. The present results provide important support for designing the interface structure between SSs and PiF to achieve higher efficiency and higher saturation threshold for warm white light.

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引用次数: 0

Enhanced photocatalytic hydrogen production through tuning charge transfer in TiO2/CdSxSe1–x-DETA nanocomposites with S-scheme heterojunction structure 通过调整具有 S 型异质结结构的 TiO2/CdS Se1-DETA 纳米复合材料中的电荷转移提高光催化制氢能力

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2024-07-27 DOI: 10.1016/j.jmat.2024.06.010

Aoyun Meng , Renqiang Yang , Wen Li , Zhen Li , Jinfeng Zhang

In addressing the severe energy crisis, adopting efficient and reliable strategies is crucial. Photocatalysis technology, utilizing solar energy to convert it into hydrogen, offers an effective pathway to alleviate energy issues. In this study, we have successfully developed the TiO₂/CdS_xSe_1–x-Diethylenetriamine (abbreviated as DETA) nanocomposites with an S-scheme heterojunction structure. By precisely adjusting the value of x (x = 0, 0.25, 0.50, 0.75 or 1.00), we optimized the charge transfer process, achieving efficient photocatalytic hydrogen evolution reaction. Specifically, the sample containing 20% (in mass) TiO₂, denoted as 20-TO, exhibited the best photocatalytic activity. In particular, the activity of 20% (in mass) TiO₂/CdS_0.25Se_0.75-DETA (abbreviated as 20-TO/CS0.25E0.75) reached 32.7 mmol·g⁻¹·h⁻¹, maintaining high hydrogen evolution performance over ten consecutive cycles (totaling 40 h). We used electron paramagnetic resonance (EPR), ultraviolet–visible diffuse reflectance spectroscopy (UV–Vis DRS), femtosecond transient absorption spectroscopy (fs-TAS) and theoretical calculations to comprehensively confirm that the heterojunctions in all nanocomposites conform to the S-scheme mechanism. This mechanism provides an optimal path for charge transfer. Comparative analysis through theoretical calculations revealed that the charge transfer efficiency between TO and CS0.25E0.75 was the highest, which correlates well with the experimental results of photocatalytic hydrogen evolution. This innovative nanocomposites enhances new energy technologies with its efficient charge transfer.

要解决严重的能源危机，采取高效可靠的战略至关重要。利用太阳能将其转化为氢气的光催化技术为缓解能源问题提供了一条有效途径。在这项研究中，我们成功开发了具有 S 型异质结结构的 TiO2/CdSxSe1-x-Diethylenetriamine （简称 DETA）纳米复合材料。通过精确调节 x 值（x = 0、0.25、0.50、0.75 或 1.00），我们优化了电荷转移过程，实现了高效的光催化氢进化反应。具体而言，含有 20% （质量分数）TiO2 的样品（记为 20-TO）表现出最佳的光催化活性。其中，20%（质量分数）TiO2/CdS0.25Se0.75-DETA（简称 20-TO/CS0.25E0.75）的活性达到了 32.7 mmol-g-1-h-1，在连续十次循环（共 40 小时）中保持了较高的氢气进化性能。我们利用电子顺磁共振（EPR）、紫外可见光漫反射光谱（UV-Vis DRS）、飞秒瞬态吸收光谱（fs-TAS）和理论计算全面证实了所有纳米复合材料中的异质结都符合 S 型机制。这种机制为电荷转移提供了最佳路径。理论计算的对比分析表明，TO 和 CS0.25E0.75 之间的电荷转移效率最高，这与光催化氢进化的实验结果非常吻合。这种创新的纳米复合材料可通过高效的电荷转移增强新能源技术。

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引用次数: 0