Pub Date : 2024-08-01DOI: 10.1038/s43246-024-00583-4
Mengjie Zu, Carl P. Goodrich
The ability to control forces between sub-micron-scale building blocks offers significant potential for designing new materials through self-assembly. Traditionally, this involves identifying a crystal structure with a desired property and then designing building-block interactions so that it assembles spontaneously. However, this paradigm fails for structurally disordered solids, which lack a well-defined structure. Here, we show that disordered solids can still be treated from an inverse self-assembly perspective by bypassing structure and directly targeting material properties. Using the Poisson’s ratio as a primary example, we demonstrate how differentiable programming links interaction parameters with emergent behavior, enabling iterative training to achieve the desired Poisson’s ratio. We also tune other properties, including pressure and local 8-fold structural order, and can even control multiple properties simultaneously. This robust, transferable, and scalable approach can handle a wide variety of systems and properties, demonstrating the utility of disordered solids as a practical avenue for self-assembly platforms. The bottom-up self-assembly of materials from building blocks for achieving targeted properties is typically best achieved in ordered materials. Here, the inverse self-assembly of disordered materials is demonstrated based on targeting specific material properties, such as Poisson’s ratio.
{"title":"Designing athermal disordered solids with automatic differentiation","authors":"Mengjie Zu, Carl P. Goodrich","doi":"10.1038/s43246-024-00583-4","DOIUrl":"10.1038/s43246-024-00583-4","url":null,"abstract":"The ability to control forces between sub-micron-scale building blocks offers significant potential for designing new materials through self-assembly. Traditionally, this involves identifying a crystal structure with a desired property and then designing building-block interactions so that it assembles spontaneously. However, this paradigm fails for structurally disordered solids, which lack a well-defined structure. Here, we show that disordered solids can still be treated from an inverse self-assembly perspective by bypassing structure and directly targeting material properties. Using the Poisson’s ratio as a primary example, we demonstrate how differentiable programming links interaction parameters with emergent behavior, enabling iterative training to achieve the desired Poisson’s ratio. We also tune other properties, including pressure and local 8-fold structural order, and can even control multiple properties simultaneously. This robust, transferable, and scalable approach can handle a wide variety of systems and properties, demonstrating the utility of disordered solids as a practical avenue for self-assembly platforms. The bottom-up self-assembly of materials from building blocks for achieving targeted properties is typically best achieved in ordered materials. Here, the inverse self-assembly of disordered materials is demonstrated based on targeting specific material properties, such as Poisson’s ratio.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00583-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141881783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Phase diagrams provide considerable information that is vital for materials exploration. However, the determination of multidimensional phase diagrams typically requires a significant investment of time, cost, and human resources owing to the necessity of numerous experiments or simulations. Machine learning and artificial intelligence techniques present a viable solution for expediting phase diagrams investigations. Additionally, effective visualization is critical for understanding phase diagrams. This study reports the development of AIPHAD (Artificial Intelligence technique for PHAse Diagram), an open-source web application to assist in the investigation and visual understanding of phase diagrams using active learning. AIPHAD employs PDC (Phase Diagram Construction) algorithm, which operates on the principle of uncertainty sampling in active learning. The AIPHAD application facilitates the examination of five diagram types: two-variable diagrams, three-variable diagrams, ternary sections, ternary phase diagrams, and quaternary sections. The efficacy of the application is demonstrated in the study of the Fe-Ti-Sn ternary system, where it efficiently identified the presence of the Heusler phase. The integration of machine learning tools with traditional materials science approaches showcased in this study has the potential to drive groundbreaking advancements in materials exploration and discovery. Determining multidimensional phase diagrams of complex materials requires significant experimental and computational resources. Here, an open-source web application based on active learning facilitates the visual understanding of phase diagrams without prior knowledge of the target system.
{"title":"AIPHAD, an active learning web application for visual understanding of phase diagrams","authors":"Ryo Tamura, Haruhiko Morito, Guillaume Deffrennes, Masanobu Naito, Yoshitaro Nose, Taichi Abe, Kei Terayama","doi":"10.1038/s43246-024-00580-7","DOIUrl":"10.1038/s43246-024-00580-7","url":null,"abstract":"Phase diagrams provide considerable information that is vital for materials exploration. However, the determination of multidimensional phase diagrams typically requires a significant investment of time, cost, and human resources owing to the necessity of numerous experiments or simulations. Machine learning and artificial intelligence techniques present a viable solution for expediting phase diagrams investigations. Additionally, effective visualization is critical for understanding phase diagrams. This study reports the development of AIPHAD (Artificial Intelligence technique for PHAse Diagram), an open-source web application to assist in the investigation and visual understanding of phase diagrams using active learning. AIPHAD employs PDC (Phase Diagram Construction) algorithm, which operates on the principle of uncertainty sampling in active learning. The AIPHAD application facilitates the examination of five diagram types: two-variable diagrams, three-variable diagrams, ternary sections, ternary phase diagrams, and quaternary sections. The efficacy of the application is demonstrated in the study of the Fe-Ti-Sn ternary system, where it efficiently identified the presence of the Heusler phase. The integration of machine learning tools with traditional materials science approaches showcased in this study has the potential to drive groundbreaking advancements in materials exploration and discovery. Determining multidimensional phase diagrams of complex materials requires significant experimental and computational resources. Here, an open-source web application based on active learning facilitates the visual understanding of phase diagrams without prior knowledge of the target system.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00580-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141863842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-27DOI: 10.1038/s43246-024-00561-w
Meiying Zheng, Jan Kuriplach, Ilja Makkonen, Rafael Ferragut, Vito Di Noto, Gioele Pagot, Ekaterina Laakso, Bernardo Barbiellini
Carbon-based coatings in Li-ion battery cathodes improve electron conductivity and enable rapid charging. However, the mechanism is not well understood. Here, we address this question by using positrons as non-destructive probes to investigate nano-interfaces within cathodes. We calculate the positron annihilation lifetime in a graphene stack LiCoO2 heterojunction using an ab initio method with a non-local density approximation to accurately describe the electron-positron correlation. This ideal heterostructure represents the standard carbon-based coating performed on cathode nanoparticles to improve the conduction properties of the cathode. We characterize the interface between LiCoO2 and graphene as a p-type Schottky junction and find positron surface states. The intensity of the lifetime component for these positron surface states serves as a descriptor for positive ion ultra-fast mobility. Consequently, optimizing the carbon layer by enhancing this intensity and by analogizing Li-ion adatoms on graphene layers with positrons at surfaces can improve the design of fast-charging channels. Carbon layers in Li-ion battery cathodes are important for fast charging but the underlying mechanism is still not well understood. Here, ab initio calculations of the positron annihilation lifetime in graphene stack LiCoO2 heterojunction gives insights into ultra-fast ion mobility.
锂离子电池阴极中的碳基涂层可提高电子传导性，实现快速充电。然而，人们对其机理并不十分清楚。在此，我们利用正电子作为非破坏性探针来研究阴极内的纳米界面，从而解决这一问题。我们采用非局部密度近似的 ab initio 方法计算石墨烯叠层钴酸锂异质结中的正电子湮灭寿命，以准确描述电子-正电子相关性。这种理想的异质结构代表了在阴极纳米粒子上进行的标准碳基涂层，以改善阴极的传导性能。我们将钴酸锂和石墨烯之间的界面描述为 p 型肖特基结，并发现了正电子表面态。这些正电子表面态的寿命分量强度可作为正离子超快迁移率的描述因子。因此，通过增强这种强度来优化碳层，并将石墨烯层上的锂离子原子与表面的正电子进行类比，可以改进快速充电通道的设计。
{"title":"Positron unveiling high mobility graphene stack interfaces in Li-ion cathodes","authors":"Meiying Zheng, Jan Kuriplach, Ilja Makkonen, Rafael Ferragut, Vito Di Noto, Gioele Pagot, Ekaterina Laakso, Bernardo Barbiellini","doi":"10.1038/s43246-024-00561-w","DOIUrl":"10.1038/s43246-024-00561-w","url":null,"abstract":"Carbon-based coatings in Li-ion battery cathodes improve electron conductivity and enable rapid charging. However, the mechanism is not well understood. Here, we address this question by using positrons as non-destructive probes to investigate nano-interfaces within cathodes. We calculate the positron annihilation lifetime in a graphene stack LiCoO2 heterojunction using an ab initio method with a non-local density approximation to accurately describe the electron-positron correlation. This ideal heterostructure represents the standard carbon-based coating performed on cathode nanoparticles to improve the conduction properties of the cathode. We characterize the interface between LiCoO2 and graphene as a p-type Schottky junction and find positron surface states. The intensity of the lifetime component for these positron surface states serves as a descriptor for positive ion ultra-fast mobility. Consequently, optimizing the carbon layer by enhancing this intensity and by analogizing Li-ion adatoms on graphene layers with positrons at surfaces can improve the design of fast-charging channels. Carbon layers in Li-ion battery cathodes are important for fast charging but the underlying mechanism is still not well understood. Here, ab initio calculations of the positron annihilation lifetime in graphene stack LiCoO2 heterojunction gives insights into ultra-fast ion mobility.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00561-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141785969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-25DOI: 10.1038/s43246-024-00577-2
Zhenxing Han, Mengmeng Wang, Ziwei Hu, Yu Wang, Jie Tong, Xiaofeng Zhao, Wenjin Yue, Guangjun Nie
The design of enzyme-response hydrogels has attracted increasing interest in cell therapy, biomedical research, and tissue engineering. Their rational design usually depends on the enzyme-response mechanism and have focused on behavior improvement, drug delivery, and state transition of hydrogels. However, no enzyme-response mechanism has yet been systematically investigated. Here, we construct a tunable platform of tannic acid-embedded chitosan/γ-polyglutamic acid hydrogel to study the enzyme-response mechanism. We track the roles of gallic acid hydrolyzed from tannic acid in altering the structure and properties of the hydrogel to get insights into the mechanism. The gallic acid inside the hydrogel enhances hydrogel crosslinking, increasing the mechanical properties and pH sensitivity but reducing thickness, porosity, and swelling behavior. The gallic acid outside the hydrogel increases the positive potential and superficial hydrophobicity of the hydrogel. These findings will aid the rational design of other enzyme-response hydrogels in more extensive self-adaptive fields. Understanding enzyme-response mechanisms is important for designing materials in cell therapy, biomedical research, and tissue engineering. Here, a chitosan/γ-polyglutamic acid hydrogel is designed as a platform to understand the role of gallic acid in the enzyme-response mechanism.
{"title":"Tracking the enzyme-response mechanism of tannic acid-embedded chitosan/γ-polyglutamic acid hydrogel","authors":"Zhenxing Han, Mengmeng Wang, Ziwei Hu, Yu Wang, Jie Tong, Xiaofeng Zhao, Wenjin Yue, Guangjun Nie","doi":"10.1038/s43246-024-00577-2","DOIUrl":"10.1038/s43246-024-00577-2","url":null,"abstract":"The design of enzyme-response hydrogels has attracted increasing interest in cell therapy, biomedical research, and tissue engineering. Their rational design usually depends on the enzyme-response mechanism and have focused on behavior improvement, drug delivery, and state transition of hydrogels. However, no enzyme-response mechanism has yet been systematically investigated. Here, we construct a tunable platform of tannic acid-embedded chitosan/γ-polyglutamic acid hydrogel to study the enzyme-response mechanism. We track the roles of gallic acid hydrolyzed from tannic acid in altering the structure and properties of the hydrogel to get insights into the mechanism. The gallic acid inside the hydrogel enhances hydrogel crosslinking, increasing the mechanical properties and pH sensitivity but reducing thickness, porosity, and swelling behavior. The gallic acid outside the hydrogel increases the positive potential and superficial hydrophobicity of the hydrogel. These findings will aid the rational design of other enzyme-response hydrogels in more extensive self-adaptive fields. Understanding enzyme-response mechanisms is important for designing materials in cell therapy, biomedical research, and tissue engineering. Here, a chitosan/γ-polyglutamic acid hydrogel is designed as a platform to understand the role of gallic acid in the enzyme-response mechanism.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00577-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141785970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-24DOI: 10.1038/s43246-024-00557-6
Suntisak Khumngern, Itthipon Jeerapan
Wearable enzyme-based biosensors enable advanced healthcare diagnostics through the monitoring of biomarkers and physiological states. The integration of materials engineering and enzyme conjugation has established the groundwork for advancements in modern analytical chemistry, poised to extend the frontiers of wearable biosensing further. Recent advancements in enzymatic biofuel cells have also enhanced devices by harnessing biofuels, such as glucose and lactate in biofluids. Importantly, biofuel cells offer the potential for self-powered biosensors. Here, we present an overview of the principles and considerations associated with engineering materials and integrating enzymes with electrodes to achieve effective wearable biosensing and self-sustaining biofuel cell-based energy systems. Furthermore, we discuss challenges encountered by enzymatic sensors and biofuel cells. Representative applications of wearable devices in healthcare settings are highlighted, along with a summary of real sample analyses, emphasizing the concentration ranges of analytes present in actual sweat samples to underscore their relevance in real-world scenarios. Finally, the discussion explores the anticipated impact of future material innovations and integrations on the development of next-generation wearable biodevices. Enzyme-based wearable biosensors offer a unique approach for biomarker detection. This Review discusses recent progress in enzymatic biosensors and biofuel cells, where biofuels self-power the device while enzymes concurrently work for biomarker detection.
{"title":"Synergistic convergence of materials and enzymes for biosensing and self-sustaining energy devices towards on-body health monitoring","authors":"Suntisak Khumngern, Itthipon Jeerapan","doi":"10.1038/s43246-024-00557-6","DOIUrl":"10.1038/s43246-024-00557-6","url":null,"abstract":"Wearable enzyme-based biosensors enable advanced healthcare diagnostics through the monitoring of biomarkers and physiological states. The integration of materials engineering and enzyme conjugation has established the groundwork for advancements in modern analytical chemistry, poised to extend the frontiers of wearable biosensing further. Recent advancements in enzymatic biofuel cells have also enhanced devices by harnessing biofuels, such as glucose and lactate in biofluids. Importantly, biofuel cells offer the potential for self-powered biosensors. Here, we present an overview of the principles and considerations associated with engineering materials and integrating enzymes with electrodes to achieve effective wearable biosensing and self-sustaining biofuel cell-based energy systems. Furthermore, we discuss challenges encountered by enzymatic sensors and biofuel cells. Representative applications of wearable devices in healthcare settings are highlighted, along with a summary of real sample analyses, emphasizing the concentration ranges of analytes present in actual sweat samples to underscore their relevance in real-world scenarios. Finally, the discussion explores the anticipated impact of future material innovations and integrations on the development of next-generation wearable biodevices. Enzyme-based wearable biosensors offer a unique approach for biomarker detection. This Review discusses recent progress in enzymatic biosensors and biofuel cells, where biofuels self-power the device while enzymes concurrently work for biomarker detection.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00557-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141781053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-24DOI: 10.1038/s43246-024-00570-9
Jung-Bin Ahn, Byungseok Yoo, Darryll J. Pines, Chia-Ying Kuo, Mingyi Wang, Naga Sai Gouthami Bejjanki, Soaram Kim
A highly sensitive and multi-functional pressure sensor capable of continuous pressure readings is greatly needed, particularly for precise gait pattern analysis. Here, we fabricate a sensitive and reliable pressure sensor by employing eutectic gallium indium (EGaIn) liquid metal as the sensing material and EcoFlex 00-30 silicone as the substrate, via a low-cost process. The device architecture features a microchannel, creating two independent sensing devices, and the mechanical properties of the substrate and sensing material contribute to high stretchability and flexibility, resulting in a sensitivity of 66.07 MPa−1 and a low measurement resolution of 0.056 kPa. The sensor detects applied pressure accurately and can distinguish pressure distribution across a wide area. We demonstrate high efficiency for monitoring human walking gait at various speeds when a single sensor is attached to the foot, and can differentiate between walking postures. This device has strong potential for clinical and rehabilitation applications in gait analysis. Wearable pressure sensors can track body movements for diagnostic purposes. Here, a microchannel architecture in a flexible sensor enables comprehensive analysis of static and dynamic pressure when attached to a foot, allowing for detailed analysis of walking gait.
{"title":"Microchannel pressure sensor for continuous and real-time wearable gait monitoring","authors":"Jung-Bin Ahn, Byungseok Yoo, Darryll J. Pines, Chia-Ying Kuo, Mingyi Wang, Naga Sai Gouthami Bejjanki, Soaram Kim","doi":"10.1038/s43246-024-00570-9","DOIUrl":"10.1038/s43246-024-00570-9","url":null,"abstract":"A highly sensitive and multi-functional pressure sensor capable of continuous pressure readings is greatly needed, particularly for precise gait pattern analysis. Here, we fabricate a sensitive and reliable pressure sensor by employing eutectic gallium indium (EGaIn) liquid metal as the sensing material and EcoFlex 00-30 silicone as the substrate, via a low-cost process. The device architecture features a microchannel, creating two independent sensing devices, and the mechanical properties of the substrate and sensing material contribute to high stretchability and flexibility, resulting in a sensitivity of 66.07 MPa−1 and a low measurement resolution of 0.056 kPa. The sensor detects applied pressure accurately and can distinguish pressure distribution across a wide area. We demonstrate high efficiency for monitoring human walking gait at various speeds when a single sensor is attached to the foot, and can differentiate between walking postures. This device has strong potential for clinical and rehabilitation applications in gait analysis. Wearable pressure sensors can track body movements for diagnostic purposes. Here, a microchannel architecture in a flexible sensor enables comprehensive analysis of static and dynamic pressure when attached to a foot, allowing for detailed analysis of walking gait.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00570-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141781052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-24DOI: 10.1038/s43246-024-00581-6
Aldo Isidori
Altermagnetism is attracting great interest as a new third type of collinear magnetic order, distinct by symmetry from conventional ferromagnetism and antiferromagnetism. Now, a mechanism for an interaction-induced formation of altermagnetism in isotropic crystals is presented, based on spontaneous orbital ordering.
{"title":"Altermagnetism arising from a spontaneous electronic instability","authors":"Aldo Isidori","doi":"10.1038/s43246-024-00581-6","DOIUrl":"10.1038/s43246-024-00581-6","url":null,"abstract":"Altermagnetism is attracting great interest as a new third type of collinear magnetic order, distinct by symmetry from conventional ferromagnetism and antiferromagnetism. Now, a mechanism for an interaction-induced formation of altermagnetism in isotropic crystals is presented, based on spontaneous orbital ordering.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00581-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141781054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-23DOI: 10.1038/s43246-024-00565-6
Leila Abylgazina, Irena Senkovska, Stefan Kaskel
Metal-organic frameworks (MOFs) are highly porous materials composed of organic linkers and inorganic nodes. A subset of MOFs can switch between at least two structures differing significantly in porosity, offering new opportunities for application technologies. However, network topology, micromechanics of building blocks and their hinges, particle size, defects, agglomeration etc., are convoluted into the responsiveness of the system. Many factors are a consequence of the material’s history, including synthesis, desolvation, and all subsequent handling steps, leading to a complex interplay of factors difficult to express clearly by ordinary language systems, chemical or mathematical symbols without loss of intuitive understanding. Here, we propose a symbolic language for the rationalization of switchability emphasizing the history-dependent responsivity of many dynamic frameworks and their stimuli-induced phase transitions. The system follows a bivalent logic inspired by Freges “Begriffsschrift”, providing a fundamental logic structure for the rationalization of statements and representation of logic gates. Switchability of metal-organic frameworks is influenced by the complex interplay of factors that are difficult to retrace. Here, a symbolic language of switchability is proposed, providing a fundamental logic structure for the rationalization of statements and representation of logic gates.
{"title":"Logic and symbolism of switchable porous framework materials","authors":"Leila Abylgazina, Irena Senkovska, Stefan Kaskel","doi":"10.1038/s43246-024-00565-6","DOIUrl":"10.1038/s43246-024-00565-6","url":null,"abstract":"Metal-organic frameworks (MOFs) are highly porous materials composed of organic linkers and inorganic nodes. A subset of MOFs can switch between at least two structures differing significantly in porosity, offering new opportunities for application technologies. However, network topology, micromechanics of building blocks and their hinges, particle size, defects, agglomeration etc., are convoluted into the responsiveness of the system. Many factors are a consequence of the material’s history, including synthesis, desolvation, and all subsequent handling steps, leading to a complex interplay of factors difficult to express clearly by ordinary language systems, chemical or mathematical symbols without loss of intuitive understanding. Here, we propose a symbolic language for the rationalization of switchability emphasizing the history-dependent responsivity of many dynamic frameworks and their stimuli-induced phase transitions. The system follows a bivalent logic inspired by Freges “Begriffsschrift”, providing a fundamental logic structure for the rationalization of statements and representation of logic gates. Switchability of metal-organic frameworks is influenced by the complex interplay of factors that are difficult to retrace. Here, a symbolic language of switchability is proposed, providing a fundamental logic structure for the rationalization of statements and representation of logic gates.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00565-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141781055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the last decade, laboratory-scale single-junction perovskite solar cells have achieved a remarkable power conversion efficiency exceeding 26.1%. However, the transition to industrial-scale production has unveiled a significant efficiency gap. The central challenge lies in the difficulty of achieving uniform, high-quality perovskite films on a large scale. To tackle this issue, various innovative strategies for manipulating crystallization have emerged in recent years. Based on an in-depth fundamental understanding of the nucleation and growth mechanisms in large-area perovskite films prepared through blade/slot-die coating methods, this review offers a critical examination of crystallization manipulation strategies for large-area perovskite solar modules. Lastly, we explore future avenues aimed at enhancing the efficiency and stability of large-area PSMs, thereby steering the field toward commercially viable applications. A key challenge in scaling-up the synthesis of perovskite solar cells is ensuring the same crystal quality in a large-area device as on the lab scale. This Review discusses how perovskite crystallization kinetics can be controlled, so to achieve high power conversion efficiency and stability.
{"title":"Manipulating the crystallization kinetics of halide perovskites for large-area solar modules","authors":"Zhaojin Wang, Xiao Duan, Jing Zhang, Wenbin Yuan, Dinghao Qu, You Chen, Lijuan He, Haoran Wang, Guang Yang, Wei Zhang, Yang Bai, Hui-Ming Cheng","doi":"10.1038/s43246-024-00566-5","DOIUrl":"10.1038/s43246-024-00566-5","url":null,"abstract":"In the last decade, laboratory-scale single-junction perovskite solar cells have achieved a remarkable power conversion efficiency exceeding 26.1%. However, the transition to industrial-scale production has unveiled a significant efficiency gap. The central challenge lies in the difficulty of achieving uniform, high-quality perovskite films on a large scale. To tackle this issue, various innovative strategies for manipulating crystallization have emerged in recent years. Based on an in-depth fundamental understanding of the nucleation and growth mechanisms in large-area perovskite films prepared through blade/slot-die coating methods, this review offers a critical examination of crystallization manipulation strategies for large-area perovskite solar modules. Lastly, we explore future avenues aimed at enhancing the efficiency and stability of large-area PSMs, thereby steering the field toward commercially viable applications. A key challenge in scaling-up the synthesis of perovskite solar cells is ensuring the same crystal quality in a large-area device as on the lab scale. This Review discusses how perovskite crystallization kinetics can be controlled, so to achieve high power conversion efficiency and stability.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00566-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141781194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-23DOI: 10.1038/s43246-024-00569-2
Maider Zarrabeitia, Iñigo Salazar, Begoña Acebedo, Miguel Ángel Muñoz-Márquez
Sodium-ion batteries are well positioned to become, in the near future, the energy storage system for stationary applications and light electromobility. However, two main drawbacks feed their underperformance, namely the irreversible sodium consumption during solid electrolyte interphase formation and the low sodiation degree of one of the most promising cathode materials: the P2-type layered oxides. Here, we show a scalable and low-cost sodiation process based on sodium thermal evaporation. This method tackles the poor sodiation degree of P2-type sodium layered oxides, thus overcoming the first irreversible capacity as demonstrated by manufacturing and testing all solid-state Na doped-Na~1Mn0.8Fe0.1Ti0.1O2 ǀǀ PEO-based polymer electrolyte ǀǀ Na full cells. The proposed sodium physical vapor deposition method opens the door for an easily scalable and low-cost strategy to incorporate any metal deficiency in the battery materials, further pushing the battery development. The energy density of sodium-ion batteries is lacking due to the low sodiation degree of promising layered cathode materials. Here, sodium thermal evaporation tackles the poor sodiation degree of P2-type sodium layered oxides, overcoming the first irreversible capacity in all solid-state full cells.
{"title":"Stabilization of P2 layered oxide electrodes in sodium-ion batteries through sodium evaporation","authors":"Maider Zarrabeitia, Iñigo Salazar, Begoña Acebedo, Miguel Ángel Muñoz-Márquez","doi":"10.1038/s43246-024-00569-2","DOIUrl":"10.1038/s43246-024-00569-2","url":null,"abstract":"Sodium-ion batteries are well positioned to become, in the near future, the energy storage system for stationary applications and light electromobility. However, two main drawbacks feed their underperformance, namely the irreversible sodium consumption during solid electrolyte interphase formation and the low sodiation degree of one of the most promising cathode materials: the P2-type layered oxides. Here, we show a scalable and low-cost sodiation process based on sodium thermal evaporation. This method tackles the poor sodiation degree of P2-type sodium layered oxides, thus overcoming the first irreversible capacity as demonstrated by manufacturing and testing all solid-state Na doped-Na~1Mn0.8Fe0.1Ti0.1O2 ǀǀ PEO-based polymer electrolyte ǀǀ Na full cells. The proposed sodium physical vapor deposition method opens the door for an easily scalable and low-cost strategy to incorporate any metal deficiency in the battery materials, further pushing the battery development. The energy density of sodium-ion batteries is lacking due to the low sodiation degree of promising layered cathode materials. Here, sodium thermal evaporation tackles the poor sodiation degree of P2-type sodium layered oxides, overcoming the first irreversible capacity in all solid-state full cells.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00569-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141781057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：