Pub Date : 2024-02-08DOI: 10.1088/2515-7639/ad278c
Yan Yan Grisan Qiu, P. Biasin, Paola Mantegazza, Stefania Baronio, Martin Heinrich, M. Muntwiler, E. Vesselli
Synthesis of a stable, well ordered honeycomb borophene phase has been achieved to date by exploiting Al(111) as a growth substrate, which provides the necessary charge doping to compensate the high hexagonal-holes density. However, B/Al(111) is governed by a strong B-Al interaction so to yield the actual formation of an AlB2 honeycomb borophene phase. Dilution of aluminum by alloying could then in principle weaken the boron-support bonding. By means of a combined spectroscopy and microscopy experimental approach, we find instead that the growth of boron layers on the Ni3Al(111) alloy termination is driven by B dissolution into the bulk and surface segregation mechanisms. While no long-range ordered boron-induced phase is observed, locally ordered superstructural units with triangular appearance are stabilized by substrate pinning, following the chemical p(2 2) surface order. Oxidation involves both boron and aluminum, inducing surface segregation of B, while nickel remains in its metallic form.
{"title":"Seeking borophene on Ni3Al(111): an experimental characterization of boron segregation and oxidation","authors":"Yan Yan Grisan Qiu, P. Biasin, Paola Mantegazza, Stefania Baronio, Martin Heinrich, M. Muntwiler, E. Vesselli","doi":"10.1088/2515-7639/ad278c","DOIUrl":"https://doi.org/10.1088/2515-7639/ad278c","url":null,"abstract":"\u0000 Synthesis of a stable, well ordered honeycomb borophene phase has been achieved to date by exploiting Al(111) as a growth substrate, which provides the necessary charge doping to compensate the high hexagonal-holes density. However, B/Al(111) is governed by a strong B-Al interaction so to yield the actual formation of an AlB2 honeycomb borophene phase. Dilution of aluminum by alloying could then in principle weaken the boron-support bonding. By means of a combined spectroscopy and microscopy experimental approach, we find instead that the growth of boron layers on the Ni3Al(111) alloy termination is driven by B dissolution into the bulk and surface segregation mechanisms. While no long-range ordered boron-induced phase is observed, locally ordered superstructural units with triangular appearance are stabilized by substrate pinning, following the chemical p(2 2) surface order. Oxidation involves both boron and aluminum, inducing surface segregation of B, while nickel remains in its metallic form.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139851480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-08DOI: 10.1088/2515-7639/ad278c
Yan Yan Grisan Qiu, P. Biasin, Paola Mantegazza, Stefania Baronio, Martin Heinrich, M. Muntwiler, E. Vesselli
Synthesis of a stable, well ordered honeycomb borophene phase has been achieved to date by exploiting Al(111) as a growth substrate, which provides the necessary charge doping to compensate the high hexagonal-holes density. However, B/Al(111) is governed by a strong B-Al interaction so to yield the actual formation of an AlB2 honeycomb borophene phase. Dilution of aluminum by alloying could then in principle weaken the boron-support bonding. By means of a combined spectroscopy and microscopy experimental approach, we find instead that the growth of boron layers on the Ni3Al(111) alloy termination is driven by B dissolution into the bulk and surface segregation mechanisms. While no long-range ordered boron-induced phase is observed, locally ordered superstructural units with triangular appearance are stabilized by substrate pinning, following the chemical p(2 2) surface order. Oxidation involves both boron and aluminum, inducing surface segregation of B, while nickel remains in its metallic form.
{"title":"Seeking borophene on Ni3Al(111): an experimental characterization of boron segregation and oxidation","authors":"Yan Yan Grisan Qiu, P. Biasin, Paola Mantegazza, Stefania Baronio, Martin Heinrich, M. Muntwiler, E. Vesselli","doi":"10.1088/2515-7639/ad278c","DOIUrl":"https://doi.org/10.1088/2515-7639/ad278c","url":null,"abstract":"\u0000 Synthesis of a stable, well ordered honeycomb borophene phase has been achieved to date by exploiting Al(111) as a growth substrate, which provides the necessary charge doping to compensate the high hexagonal-holes density. However, B/Al(111) is governed by a strong B-Al interaction so to yield the actual formation of an AlB2 honeycomb borophene phase. Dilution of aluminum by alloying could then in principle weaken the boron-support bonding. By means of a combined spectroscopy and microscopy experimental approach, we find instead that the growth of boron layers on the Ni3Al(111) alloy termination is driven by B dissolution into the bulk and surface segregation mechanisms. While no long-range ordered boron-induced phase is observed, locally ordered superstructural units with triangular appearance are stabilized by substrate pinning, following the chemical p(2 2) surface order. Oxidation involves both boron and aluminum, inducing surface segregation of B, while nickel remains in its metallic form.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139791427","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-06DOI: 10.1088/2515-7639/ad26b2
Jiahuan Tong, Xiaodong Liang, Nicolas von Solms, Feng Huo, Bilin Zhuang
Lithium-ion batteries are currently the most popular and widely used energy storage devices, almost omnipresent within modern society in portable devices, electrical vehicles, energy storage stations, and so on. The demand for more efficient, more durable, and more sustainable batteries is rapidly growing. The electrolyte is a key element to improve the performance of lithium-ion batteries. In this work, we focus on quaternary ionic liquid electrolyte (ILE), which uses a four-component ionic liquid as the solvent. Quaternary ILE has found wide applications in energy storage systems, but the ion transport in the electrolyte has not been fully characterized to provide the best strategy for performance optimisation. In this work, we systematically analyse the ion transport in the quaternary ILE and uncover how the correlations between various ions affect the conductivity of the electrolyte. We have found that lithium ions are transported in charge clusters, leading to a negative effective transference number of lithium ions. Furthermore, we identify the stable cluster conformations in ILE by cluster analysis and quantum chemical computing. This work highlights the necessity of considering ion correlations in multi-component electrolyte systems.
锂离子电池是目前最流行、应用最广泛的储能设备，在现代社会的便携式设备、电动汽车、储能站等领域几乎无处不在。对更高效、更耐用、更可持续的电池的需求正在迅速增长。电解质是提高锂离子电池性能的关键因素。在这项工作中，我们重点研究四元离子液体电解质（ILE），它使用四组份离子液体作为溶剂。季态离子液体电解质已在储能系统中得到广泛应用，但电解质中的离子传输尚未得到充分表征，因此无法为性能优化提供最佳策略。在这项工作中，我们系统地分析了季ILE中的离子传输，并揭示了各种离子之间的相关性如何影响电解质的导电性。我们发现，锂离子是以电荷簇的形式传输的，这导致锂离子的有效传输数为负。此外，我们还通过聚类分析和量子化学计算确定了 ILE 中稳定的簇构象。这项工作强调了在多组分电解质系统中考虑离子相关性的必要性。
{"title":"Ion Correlations in Quaternary Ionic Liquids Electrolytes","authors":"Jiahuan Tong, Xiaodong Liang, Nicolas von Solms, Feng Huo, Bilin Zhuang","doi":"10.1088/2515-7639/ad26b2","DOIUrl":"https://doi.org/10.1088/2515-7639/ad26b2","url":null,"abstract":"\u0000 Lithium-ion batteries are currently the most popular and widely used energy storage devices, almost omnipresent within modern society in portable devices, electrical vehicles, energy storage stations, and so on. The demand for more efficient, more durable, and more sustainable batteries is rapidly growing. The electrolyte is a key element to improve the performance of lithium-ion batteries. In this work, we focus on quaternary ionic liquid electrolyte (ILE), which uses a four-component ionic liquid as the solvent. Quaternary ILE has found wide applications in energy storage systems, but the ion transport in the electrolyte has not been fully characterized to provide the best strategy for performance optimisation. In this work, we systematically analyse the ion transport in the quaternary ILE and uncover how the correlations between various ions affect the conductivity of the electrolyte. We have found that lithium ions are transported in charge clusters, leading to a negative effective transference number of lithium ions. Furthermore, we identify the stable cluster conformations in ILE by cluster analysis and quantum chemical computing. This work highlights the necessity of considering ion correlations in multi-component electrolyte systems.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139861671","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-06DOI: 10.1088/2515-7639/ad26b2
Jiahuan Tong, Xiaodong Liang, Nicolas von Solms, Feng Huo, Bilin Zhuang
Lithium-ion batteries are currently the most popular and widely used energy storage devices, almost omnipresent within modern society in portable devices, electrical vehicles, energy storage stations, and so on. The demand for more efficient, more durable, and more sustainable batteries is rapidly growing. The electrolyte is a key element to improve the performance of lithium-ion batteries. In this work, we focus on quaternary ionic liquid electrolyte (ILE), which uses a four-component ionic liquid as the solvent. Quaternary ILE has found wide applications in energy storage systems, but the ion transport in the electrolyte has not been fully characterized to provide the best strategy for performance optimisation. In this work, we systematically analyse the ion transport in the quaternary ILE and uncover how the correlations between various ions affect the conductivity of the electrolyte. We have found that lithium ions are transported in charge clusters, leading to a negative effective transference number of lithium ions. Furthermore, we identify the stable cluster conformations in ILE by cluster analysis and quantum chemical computing. This work highlights the necessity of considering ion correlations in multi-component electrolyte systems.
锂离子电池是目前最流行、应用最广泛的储能设备，在现代社会的便携式设备、电动汽车、储能站等领域几乎无处不在。对更高效、更耐用、更可持续的电池的需求正在迅速增长。电解质是提高锂离子电池性能的关键因素。在这项工作中，我们重点研究四元离子液体电解质（ILE），它使用四组份离子液体作为溶剂。季态离子液体电解质已在储能系统中得到广泛应用，但电解质中的离子传输尚未得到充分表征，因此无法为性能优化提供最佳策略。在这项工作中，我们系统地分析了季ILE中的离子传输，并揭示了各种离子之间的相关性如何影响电解质的导电性。我们发现，锂离子是以电荷簇的形式传输的，这导致锂离子的有效传输数为负。此外，我们还通过聚类分析和量子化学计算确定了 ILE 中稳定的簇构象。这项工作强调了在多组分电解质系统中考虑离子相关性的必要性。
{"title":"Ion Correlations in Quaternary Ionic Liquids Electrolytes","authors":"Jiahuan Tong, Xiaodong Liang, Nicolas von Solms, Feng Huo, Bilin Zhuang","doi":"10.1088/2515-7639/ad26b2","DOIUrl":"https://doi.org/10.1088/2515-7639/ad26b2","url":null,"abstract":"\u0000 Lithium-ion batteries are currently the most popular and widely used energy storage devices, almost omnipresent within modern society in portable devices, electrical vehicles, energy storage stations, and so on. The demand for more efficient, more durable, and more sustainable batteries is rapidly growing. The electrolyte is a key element to improve the performance of lithium-ion batteries. In this work, we focus on quaternary ionic liquid electrolyte (ILE), which uses a four-component ionic liquid as the solvent. Quaternary ILE has found wide applications in energy storage systems, but the ion transport in the electrolyte has not been fully characterized to provide the best strategy for performance optimisation. In this work, we systematically analyse the ion transport in the quaternary ILE and uncover how the correlations between various ions affect the conductivity of the electrolyte. We have found that lithium ions are transported in charge clusters, leading to a negative effective transference number of lithium ions. Furthermore, we identify the stable cluster conformations in ILE by cluster analysis and quantum chemical computing. This work highlights the necessity of considering ion correlations in multi-component electrolyte systems.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139801728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-05DOI: 10.1088/2515-7639/ad2984
Dinesh Wagle, Anish Rai, M. T. Kaffash, M. Jungfleisch
The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) spheres at room temperature. We investigate the dependence of the coupling strength on the size of the sphere and find that the coupling is stronger for spheres with a larger diameter as predicted by theory. Furthermore, we demonstrate strong magnon-photon coupling by varying the position of the YIG sphere within the resonator. Our experimental results reveal a theoretically-expected correlation between the coupling strength and the rf magnetic field. These findings demonstrate the control of coherent magnon-photon coupling through the theoretically predicted square-root dependence on the spin density in the ferromagnetic medium and the magnetic dipolar interaction in a planar resonator.
{"title":"Controlling magnon-photon coupling in a planar geometry","authors":"Dinesh Wagle, Anish Rai, M. T. Kaffash, M. Jungfleisch","doi":"10.1088/2515-7639/ad2984","DOIUrl":"https://doi.org/10.1088/2515-7639/ad2984","url":null,"abstract":"\u0000 The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) spheres at room temperature. We investigate the dependence of the coupling strength on the size of the sphere and find that the coupling is stronger for spheres with a larger diameter as predicted by theory. Furthermore, we demonstrate strong magnon-photon coupling by varying the position of the YIG sphere within the resonator. Our experimental results reveal a theoretically-expected correlation between the coupling strength and the rf magnetic field. These findings demonstrate the control of coherent magnon-photon coupling through the theoretically predicted square-root dependence on the spin density in the ferromagnetic medium and the magnetic dipolar interaction in a planar resonator.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139865356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-05DOI: 10.1088/2515-7639/ad2984
Dinesh Wagle, Anish Rai, M. T. Kaffash, M. Jungfleisch
The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) spheres at room temperature. We investigate the dependence of the coupling strength on the size of the sphere and find that the coupling is stronger for spheres with a larger diameter as predicted by theory. Furthermore, we demonstrate strong magnon-photon coupling by varying the position of the YIG sphere within the resonator. Our experimental results reveal a theoretically-expected correlation between the coupling strength and the rf magnetic field. These findings demonstrate the control of coherent magnon-photon coupling through the theoretically predicted square-root dependence on the spin density in the ferromagnetic medium and the magnetic dipolar interaction in a planar resonator.
{"title":"Controlling magnon-photon coupling in a planar geometry","authors":"Dinesh Wagle, Anish Rai, M. T. Kaffash, M. Jungfleisch","doi":"10.1088/2515-7639/ad2984","DOIUrl":"https://doi.org/10.1088/2515-7639/ad2984","url":null,"abstract":"\u0000 The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) spheres at room temperature. We investigate the dependence of the coupling strength on the size of the sphere and find that the coupling is stronger for spheres with a larger diameter as predicted by theory. Furthermore, we demonstrate strong magnon-photon coupling by varying the position of the YIG sphere within the resonator. Our experimental results reveal a theoretically-expected correlation between the coupling strength and the rf magnetic field. These findings demonstrate the control of coherent magnon-photon coupling through the theoretically predicted square-root dependence on the spin density in the ferromagnetic medium and the magnetic dipolar interaction in a planar resonator.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139805750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-25DOI: 10.1088/2515-7639/ad229b
Kunpeng Chen, A. S. Barnard
Electron microscopy, a sub-field of microanalysis, is a victim of its own success. The widespread use of electron microscopy for imaging molecules and materials has had an enormous impact on our understanding of countless systems and has accelerated impacts in drug discovery and materials design, for electronic, energy, environment and health applications. With this success a bottleneck has emerged, as the rate at which we can collect data has significantly exceeded the rate at which we can analyse it. Fortunately, this has coincided with the rise of advanced computational methods, including data science and machine learning. Deep learning, a sub-field of machine learning capable of learning from large quantities of data such as images, is ideally suited to overcome some of the challenges of electron microscopy at scale. There are a variety of different deep learning approaches relevant to the field, with unique advantages and disadvantages. In this review, we describe some well-established methods, with some recent examples, and introduce some new methods currently emerging in computer science. Our summary of deep learning is designed to guide electron microscopists to choose the right deep learning algorithm for their research and prepare for their digital future.
{"title":"Advancing Electron Microscopy using Deep Learning","authors":"Kunpeng Chen, A. S. Barnard","doi":"10.1088/2515-7639/ad229b","DOIUrl":"https://doi.org/10.1088/2515-7639/ad229b","url":null,"abstract":"\u0000 Electron microscopy, a sub-field of microanalysis, is a victim of its own success. The widespread use of electron microscopy for imaging molecules and materials has had an enormous impact on our understanding of countless systems and has accelerated impacts in drug discovery and materials design, for electronic, energy, environment and health applications. With this success a bottleneck has emerged, as the rate at which we can collect data has significantly exceeded the rate at which we can analyse it. Fortunately, this has coincided with the rise of advanced computational methods, including data science and machine learning. Deep learning, a sub-field of machine learning capable of learning from large quantities of data such as images, is ideally suited to overcome some of the challenges of electron microscopy at scale. There are a variety of different deep learning approaches relevant to the field, with unique advantages and disadvantages. In this review, we describe some well-established methods, with some recent examples, and introduce some new methods currently emerging in computer science. Our summary of deep learning is designed to guide electron microscopists to choose the right deep learning algorithm for their research and prepare for their digital future.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139596153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-23DOI: 10.1088/2515-7639/ad218b
Kelly Woo, Zhengliang Bian, Maliha Noshin, Rafael Perez Martinez, M. Malakoutian, B. Shankar, Srabanti Chowdhury
Wide and ultrawide-bandgap (U/WBG) materials have garnered significant attention within the semiconductor device community due to their potential to enhance device performance through their substantial bandgap properties. These exceptional material characteristics can enable more robust and efficient devices, particularly in scenarios involving high power, high frequency, and extreme environmental conditions. Despite the promising outlook, the physics of UWBG materials remains inadequately understood, leading to a notable gap between theoretical predictions and experimental device behavior. To address this knowledge gap and pinpoint areas where further research can have the most significant impact, this review provides an overview of the progress and limitations in U/WBG materials. The review commences by discussing Gallium Nitride, a more mature WBG material that serves as a foundation for establishing fundamental concepts and addressing associated challenges. Subsequently, the focus shifts to the examination of various UWBG materials, including AlGaN/AlN, Diamond, and Ga2O3. For each of these materials, the review delves into their unique properties, growth methods, and current state-of-the-art devices, with a primary emphasis on their applications in power and radio-frequency electronics.
{"title":"From Wide to Ultrawide-Bandgap Semiconductors for High Power and High Frequency Electronic Devices","authors":"Kelly Woo, Zhengliang Bian, Maliha Noshin, Rafael Perez Martinez, M. Malakoutian, B. Shankar, Srabanti Chowdhury","doi":"10.1088/2515-7639/ad218b","DOIUrl":"https://doi.org/10.1088/2515-7639/ad218b","url":null,"abstract":"\u0000 Wide and ultrawide-bandgap (U/WBG) materials have garnered significant attention within the semiconductor device community due to their potential to enhance device performance through their substantial bandgap properties. These exceptional material characteristics can enable more robust and efficient devices, particularly in scenarios involving high power, high frequency, and extreme environmental conditions. Despite the promising outlook, the physics of UWBG materials remains inadequately understood, leading to a notable gap between theoretical predictions and experimental device behavior. To address this knowledge gap and pinpoint areas where further research can have the most significant impact, this review provides an overview of the progress and limitations in U/WBG materials. The review commences by discussing Gallium Nitride, a more mature WBG material that serves as a foundation for establishing fundamental concepts and addressing associated challenges. Subsequently, the focus shifts to the examination of various UWBG materials, including AlGaN/AlN, Diamond, and Ga2O3. For each of these materials, the review delves into their unique properties, growth methods, and current state-of-the-art devices, with a primary emphasis on their applications in power and radio-frequency electronics.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-23DOI: 10.1088/2515-7639/ad218c
B. A. Maia, Beatriz Moura Gomes, A. N. Guerreiro, Raquel Miriam Santos, Maria Helena Braga
There are still essential aspects regarding cathodes requiring a comprehensive understanding. These include identifying the underlying phenomena that prevent reaching the theoretical capacity, explaining irreversible losses, and determining the cut-off potentials at which batteries should be cycled. We address these inquiries by investigating the cell’s capacity, and phase dynamics by looking into the transport properties of electrons. This approach underlines the crucial role of electrons in influencing battery performance, similar to their significance in other materials and devices such as transistors, thermoelectrics, or superconductors. We use LFP as a case study to demonstrate that understanding the electrochemical cycling behavior of a battery cell, particularly a Li//LFP configuration, hinges on factors like the total local potentials used to calculate chemical potentials, electronic density of states (DOS), and charge carrier densities. Our findings reveal that the stable plateau potential difference is 3.42 V, with maximum charge and minimum discharge potentials at 4.12 V and 2.80 V, respectively. The study illustrates the dynamic formation of metastable phases at a plateau voltage exceeding 3.52 V. Moreover, we establish that determining the working chemical potentials of elements like Li and Al can be achieved through a combination of their work function and DOS analysis. Additionally, we shed light on the role of carbon black beyond its conductivity enhancement. Through Density Functional Theory (DFT) calculations and experimental methods involving Scanning Kelvin Probe (SKP) and electrochemical analysis, we comprehensively examine various materials, including Li, C, Al, Cu, LFP, FePO4, Li0.25FePO4, polyvinylidene fluoride (PVDF), and Li6PS5Cl (LPSCl). The insights derived from this study, which solely rely on electrical properties, have broad applicability to all cathodes and batteries. They provide valuable information for efficiently selecting optimal formulations and conditions for cycling batteries.
关于阴极，仍有一些重要方面需要全面了解。这些方面包括确定阻碍达到理论容量的基本现象、解释不可逆损耗以及确定电池循环的截止电位。我们通过研究电池的容量和电子的传输特性来解决这些问题。这种方法强调了电子在影响电池性能方面的关键作用，这与电子在晶体管、热电或超导体等其他材料和设备中的重要性类似。我们以锂离子电池为案例，说明理解电池的电化学循环行为，尤其是锂//锂离子电池配置，取决于用于计算化学势的总局部电势、电子状态密度（DOS）和电荷载流子密度等因素。我们的研究结果表明，稳定的高原电位差为 3.42 V，最大充电电位和最小放电电位分别为 4.12 V 和 2.80 V。此外，我们还发现，通过结合功函数和 DOS 分析，可以确定锂和铝等元素的工作化学势。此外，我们还揭示了炭黑在增强导电性之外的作用。通过密度泛函理论（DFT）计算以及涉及扫描开尔文探针（SKP）和电化学分析的实验方法，我们全面研究了各种材料，包括锂、C、Al、Cu、LFP、FePO4、Li0.25FePO4、聚偏二氟乙烯（PVDF）和 Li6PS5Cl（LPSCl）。本研究仅从电学特性出发，得出的见解对所有阴极和电池都具有广泛的适用性。它们为有效选择电池循环的最佳配方和条件提供了宝贵的信息。
{"title":"Cathodes pinpoints for the next generation of energy storage devices: the LiFePO4 case study","authors":"B. A. Maia, Beatriz Moura Gomes, A. N. Guerreiro, Raquel Miriam Santos, Maria Helena Braga","doi":"10.1088/2515-7639/ad218c","DOIUrl":"https://doi.org/10.1088/2515-7639/ad218c","url":null,"abstract":"\u0000 There are still essential aspects regarding cathodes requiring a comprehensive understanding. These include identifying the underlying phenomena that prevent reaching the theoretical capacity, explaining irreversible losses, and determining the cut-off potentials at which batteries should be cycled. We address these inquiries by investigating the cell’s capacity, and phase dynamics by looking into the transport properties of electrons. This approach underlines the crucial role of electrons in influencing battery performance, similar to their significance in other materials and devices such as transistors, thermoelectrics, or superconductors. We use LFP as a case study to demonstrate that understanding the electrochemical cycling behavior of a battery cell, particularly a Li//LFP configuration, hinges on factors like the total local potentials used to calculate chemical potentials, electronic density of states (DOS), and charge carrier densities. Our findings reveal that the stable plateau potential difference is 3.42 V, with maximum charge and minimum discharge potentials at 4.12 V and 2.80 V, respectively. The study illustrates the dynamic formation of metastable phases at a plateau voltage exceeding 3.52 V. Moreover, we establish that determining the working chemical potentials of elements like Li and Al can be achieved through a combination of their work function and DOS analysis. Additionally, we shed light on the role of carbon black beyond its conductivity enhancement. Through Density Functional Theory (DFT) calculations and experimental methods involving Scanning Kelvin Probe (SKP) and electrochemical analysis, we comprehensively examine various materials, including Li, C, Al, Cu, LFP, FePO4, Li0.25FePO4, polyvinylidene fluoride (PVDF), and Li6PS5Cl (LPSCl). The insights derived from this study, which solely rely on electrical properties, have broad applicability to all cathodes and batteries. They provide valuable information for efficiently selecting optimal formulations and conditions for cycling batteries.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-23DOI: 10.1088/2515-7639/ad1d8a
Erik Zimmermann, Michael Schleenvoigt, Alina Rupp, Gerrit Behner, Jan Karthein, Justus Teller, Peter Schüffelgen, Hans Lüth, Detlev Grützmacher, Thomas Schäpers
We present a symmetrization routine that optimizes and eases the analysis of imperfect, experimental data featuring the anomalous Hall hysteresis. This technique can be transferred to any hysteresis with (point-)symmetric behavior. The implementation of the method is demonstrated exemplarily using intermixed longitudinal and transversal data obtained from a chromium-doped ternary topological insulator revealing a clear hysteresis. Furthermore, by introducing a mathematical description of the anomalous Hall hysteresis based on the error function precise values of the height and coercive field are determined.
{"title":"Fourier transformation based analysis routine for intermixed longitudinal and transversal hysteretic data for the example of a magnetic topological insulator","authors":"Erik Zimmermann, Michael Schleenvoigt, Alina Rupp, Gerrit Behner, Jan Karthein, Justus Teller, Peter Schüffelgen, Hans Lüth, Detlev Grützmacher, Thomas Schäpers","doi":"10.1088/2515-7639/ad1d8a","DOIUrl":"https://doi.org/10.1088/2515-7639/ad1d8a","url":null,"abstract":"We present a symmetrization routine that optimizes and eases the analysis of imperfect, experimental data featuring the anomalous Hall hysteresis. This technique can be transferred to any hysteresis with (point-)symmetric behavior. The implementation of the method is demonstrated exemplarily using intermixed longitudinal and transversal data obtained from a chromium-doped ternary topological insulator revealing a clear hysteresis. Furthermore, by introducing a mathematical description of the anomalous Hall hysteresis based on the error function precise values of the height and coercive field are determined.","PeriodicalId":501825,"journal":{"name":"Journal of Physics: Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139770101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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