Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.09.020
William J. Scheideler
Stretchable materials, such as liquid metals, promise to transform microelectronics hardware into soft, wearable devices. However, a recent report by Kong et al. shows that liquid metals are much more than stretchable wires; their metal-air interfaces offer surprising possibilities for synthesis and deposition of multifunctional two-dimensional (2D) transparent oxide nanomaterials.
{"title":"Nimble native oxides: Printing circuits from the skin of liquid metal","authors":"William J. Scheideler","doi":"10.1016/j.matt.2024.09.020","DOIUrl":"10.1016/j.matt.2024.09.020","url":null,"abstract":"<div><div>Stretchable materials, such as liquid metals, promise to transform microelectronics hardware into soft, wearable devices. However, a recent report by Kong et al. shows that liquid metals are much more than stretchable wires; their metal-air interfaces offer surprising possibilities for synthesis and deposition of multifunctional two-dimensional (2D) transparent oxide nanomaterials.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3711-3713"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.06.026
Simon J.L. Billinge
Materials do not have a genome, yet for the past decade, and into the next decade, in the USA, there has been a presidential and inter-agency funding initiative called the “Materials Genome Initiative (MGI).” This initiative has nothing to do with real genomes, materials, or otherwise. However, in this paper, we, somewhat whimsically, explore some ideas about what a material’s gene could be and how it could be used to further our understanding of materials structure and properties. The result is a slightly non-conventional, less crystal-centric, view of materials structure that we believe can, will, and is resulting in novel materials insights.
{"title":"Do materials have a genome, and if they do, what can be done with it?","authors":"Simon J.L. Billinge","doi":"10.1016/j.matt.2024.06.026","DOIUrl":"10.1016/j.matt.2024.06.026","url":null,"abstract":"<div><div>Materials do not have a genome, yet for the past decade, and into the next decade, in the USA, there has been a presidential and inter-agency funding initiative called the “Materials Genome Initiative (MGI).” This initiative has nothing to do with real genomes, materials, or otherwise. However, in this paper, we, somewhat whimsically, explore some ideas about what a material’s gene could be and how it could be used to further our understanding of materials structure and properties. The result is a slightly non-conventional, less crystal-centric, view of materials structure that we believe can, will, and is resulting in novel materials insights.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3714-3727"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.07.009
Jianlin Wang , Qiuhao Xu , Muhua Sun , Jiyu Xu , Pan Chen , Bohan Yu , Zhongqi Wu , Zitao Chen , Xudan Huang , Huacong Sun , Lei Liao , Chen Cai , Xiaomin Li , Lifen Wang , Xuezeng Tian , Zhi Xu , Sheng Meng , Wenlong Wang , Xuedong Bai
Although the concept of self-healing has undergone a recent resurgence of interest in polymers and other soft materials, it is extremely rare for metal solids to autonomously self-repair structural damage without any external trigger. Here, we report on the direct in situ observation of such an autonomous solid-state self-healing behavior in nanoscale silver (Ag) by utilizing atomic-resolution transmission electron microscopy (TEM). Two representative kinds of structural damage—both nanopores and nanocracks—are observed to undergo automatic self-repair at room temperature and well below (down to 173 K) without any external intervention. Importantly, such an autonomous self-healing phenomenon does not occur in gold (Au) at room temperature, as it is hindered by the stronger Au-Au bonding resulting from the known relativistic effect. A combination of atomistic imaging and molecular dynamics simulation unravels that the self-healing process is accomplished through surface-mediated diffusion of Ag atoms as driven by chemical potential imbalance due to the Gibbs-Thomson effect.
{"title":"Direct observation of autonomous self-healing in silver","authors":"Jianlin Wang , Qiuhao Xu , Muhua Sun , Jiyu Xu , Pan Chen , Bohan Yu , Zhongqi Wu , Zitao Chen , Xudan Huang , Huacong Sun , Lei Liao , Chen Cai , Xiaomin Li , Lifen Wang , Xuezeng Tian , Zhi Xu , Sheng Meng , Wenlong Wang , Xuedong Bai","doi":"10.1016/j.matt.2024.07.009","DOIUrl":"10.1016/j.matt.2024.07.009","url":null,"abstract":"<div><div>Although the concept of self-healing has undergone a recent resurgence of interest in polymers and other soft materials, it is extremely rare for metal solids to autonomously self-repair structural damage without any external trigger. Here, we report on the direct <em>in situ</em> observation of such an autonomous solid-state self-healing behavior in nanoscale silver (Ag) by utilizing atomic-resolution transmission electron microscopy (TEM). Two representative kinds of structural damage—both nanopores and nanocracks—are observed to undergo automatic self-repair at room temperature and well below (down to 173 K) without any external intervention. Importantly, such an autonomous self-healing phenomenon does not occur in gold (Au) at room temperature, as it is hindered by the stronger Au-Au bonding resulting from the known relativistic effect. A combination of atomistic imaging and molecular dynamics simulation unravels that the self-healing process is accomplished through surface-mediated diffusion of Ag atoms as driven by chemical potential imbalance due to the Gibbs-Thomson effect.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3932-3948"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142023019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.10.013
Michael Charles
In the rapid chase to address humanity’s grand challenges, we must embrace multiple knowledge systems, including Indigenous ways of knowing, to fuel innovation, translate science into practice, and invite institutional sciences to evolve in an increasingly globalized world.
{"title":"Weaving innovative fabrics of knowledge between institutionalized sciences and Indigenous ways of knowing","authors":"Michael Charles","doi":"10.1016/j.matt.2024.10.013","DOIUrl":"10.1016/j.matt.2024.10.013","url":null,"abstract":"<div><div>In the rapid chase to address humanity’s grand challenges, we must embrace multiple knowledge systems, including Indigenous ways of knowing, to fuel innovation, translate science into practice, and invite institutional sciences to evolve in an increasingly globalized world.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3693-3698"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.09.011
Slocha Sapasakulvanit , Jia Heng Teoh , Hortense Le Ferrand
Although bioinspired materials with outstanding mechanical properties have been developed successfully, current manufacturing methods are energy consuming and rely on harsh conditions. On the contrary, natural ceramic composites are grown at ambient temperature and pressure, exhibiting high performance that may not be suitable for engineering applications. Based on highly mineralized biological ceramic composites, five key structural elements were identified: (1) anisotropic inorganic building blocks, (2) tight packing of the organic phase, (3) weak inorganic-inorganic interfaces but strong inorganic-organic bonding, (4) complex microstructural arrangements, and (5) presence of water. While there is a bioinspired strategy for each established element, some 3D printing methods appear promising in combining all into a single process. A better assessment on the sustainability of bioinspired ceramic composites and their marketization is also critical in view of future applications. This review serves to inform researchers on approaches to develop sustainable processes for advanced ceramic composites using bioinspiration.
{"title":"Bioinspired processing for the sustainable fabrication of high-performance bioinspired ceramic-reinforced polymer composites","authors":"Slocha Sapasakulvanit , Jia Heng Teoh , Hortense Le Ferrand","doi":"10.1016/j.matt.2024.09.011","DOIUrl":"10.1016/j.matt.2024.09.011","url":null,"abstract":"<div><div>Although bioinspired materials with outstanding mechanical properties have been developed successfully, current manufacturing methods are energy consuming and rely on harsh conditions. On the contrary, natural ceramic composites are grown at ambient temperature and pressure, exhibiting high performance that may not be suitable for engineering applications. Based on highly mineralized biological ceramic composites, five key structural elements were identified: (1) anisotropic inorganic building blocks, (2) tight packing of the organic phase, (3) weak inorganic-inorganic interfaces but strong inorganic-organic bonding, (4) complex microstructural arrangements, and (5) presence of water. While there is a bioinspired strategy for each established element, some 3D printing methods appear promising in combining all into a single process. A better assessment on the sustainability of bioinspired ceramic composites and their marketization is also critical in view of future applications. This review serves to inform researchers on approaches to develop sustainable processes for advanced ceramic composites using bioinspiration.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3786-3810"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.07.014
Rong Xu , Xin Xiao , Ge Zhang , Yusheng Ye , Pu Zhang , Yufei Yang , Sanzeeda Baig Shuchi , Yi Cui
The rapid growth of lithium (Li)-ion batteries has catalyzed an unprecedented demand for Li. However, global Li supplies struggle to meet the ever-increasing demand because traditional Li mining processes are slow, expensive, and environmentally unsustainable. Here, we introduce an efficient redox-couple electrodialysis (RCE) approach for sustainable Li extraction from brine. The electrodialysis is driven by the same half-cell electrochemical reaction but operated in opposite directions—hydrogen evolution reaction and hydrogen oxidation reaction—which consumes minimal energy due to the zero-equilibrium full-cell voltage and the low overpotential. We demonstrate continuous Li extraction from brine for over 100 h, with a low operating voltage of 0.25 V, a faradaic efficiency of 88.87%, and a Li selectivity of 0.9954. Notably, the Li extraction via RCE consumes the specific energy of a mere 1.1 kWh kgLi−1, an order of magnitude lower than the energy demands of previously reported Li extraction techniques.
{"title":"Continuous lithium extraction from brine by efficient redox-couple electrodialysis","authors":"Rong Xu , Xin Xiao , Ge Zhang , Yusheng Ye , Pu Zhang , Yufei Yang , Sanzeeda Baig Shuchi , Yi Cui","doi":"10.1016/j.matt.2024.07.014","DOIUrl":"10.1016/j.matt.2024.07.014","url":null,"abstract":"<div><div>The rapid growth of lithium (Li)-ion batteries has catalyzed an unprecedented demand for Li. However, global Li supplies struggle to meet the ever-increasing demand because traditional Li mining processes are slow, expensive, and environmentally unsustainable. Here, we introduce an efficient redox-couple electrodialysis (RCE) approach for sustainable Li extraction from brine. The electrodialysis is driven by the same half-cell electrochemical reaction but operated in opposite directions—hydrogen evolution reaction and hydrogen oxidation reaction—which consumes minimal energy due to the zero-equilibrium full-cell voltage and the low overpotential. We demonstrate continuous Li extraction from brine for over 100 h, with a low operating voltage of 0.25 V, a faradaic efficiency of 88.87%, and a Li selectivity of 0.9954. Notably, the Li extraction via RCE consumes the specific energy of a mere 1.1 kWh kg<sub>Li</sub><sup>−1</sup>, an order of magnitude lower than the energy demands of previously reported Li extraction techniques.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3876-3890"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142023063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.07.019
Shuo Liu , Chih-Wen Pao , Jeng-Lung Chen , Sichi Li , Kaiwen Chen , Zhengxi Xuan , Chengyu Song , Jeffrey J. Urban , Mark T. Swihart , Chaochao Dun
High-entropy ceramics are an emerging class of materials with fascinating characteristics. However, elemental immiscibility and crystal complexity limit the development of a general synthesis strategy, and common methods yield bulk materials. Here, we introduce a transformative non-equilibrium flame aerosol technique for synthesizing high-entropy nanoceramics. This scalable, one-step process enables the production of high-entropy oxide nanoceramics with an unprecedented diversity of crystal structures, including fluorite-phase materials that integrate up to 22 distinct cation elements. The method’s capacity for entropic stabilization and grain refinement significantly improves the thermal stability of these nanostructures. In a representative application, a Pt-(MgCoNiCuZn)O high-entropy single-atom catalyst showed superior activity and long-term stability, maintaining constant CO2 conversion over 670 h and dramatically outperforming conventional catalysts. The general approach opens a vast composition and structure space for the creation of high-entropy oxide nanomaterials for application across diverse fields, including catalysis, energy storage, sensing, and thermal management.
{"title":"A general flame aerosol route to high-entropy nanoceramics","authors":"Shuo Liu , Chih-Wen Pao , Jeng-Lung Chen , Sichi Li , Kaiwen Chen , Zhengxi Xuan , Chengyu Song , Jeffrey J. Urban , Mark T. Swihart , Chaochao Dun","doi":"10.1016/j.matt.2024.07.019","DOIUrl":"10.1016/j.matt.2024.07.019","url":null,"abstract":"<div><div>High-entropy ceramics are an emerging class of materials with fascinating characteristics. However, elemental immiscibility and crystal complexity limit the development of a general synthesis strategy, and common methods yield bulk materials. Here, we introduce a transformative non-equilibrium flame aerosol technique for synthesizing high-entropy nanoceramics. This scalable, one-step process enables the production of high-entropy oxide nanoceramics with an unprecedented diversity of crystal structures, including fluorite-phase materials that integrate up to 22 distinct cation elements. The method’s capacity for entropic stabilization and grain refinement significantly improves the thermal stability of these nanostructures. In a representative application, a Pt-(MgCoNiCuZn)O high-entropy single-atom catalyst showed superior activity and long-term stability, maintaining constant CO<sub>2</sub> conversion over 670 h and dramatically outperforming conventional catalysts. The general approach opens a vast composition and structure space for the creation of high-entropy oxide nanomaterials for application across diverse fields, including catalysis, energy storage, sensing, and thermal management.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3994-4013"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142085326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aqueous wide-temperature zinc-air batteries (AWT-ZABs) have the potential to meet the fast-growing energy demand in extreme climates (−60°C to 60°C). However, cathodic oxygen reduction reaction (ORR) kinetics are susceptible to temperature fluctuations. Herein, we present a highly active and durable ORR catalyst composed of Ru nanoclusters and neighboring Mn-N4 moieties (RuNC@Mn-N4). The RuNC@Mn-N4 achieved a half-wave potential of 0.925 V, surpassing known Ru-based electrocatalysts, with minimal decay after 50,000 cycles. In AWT-ZABs, the RuNC@Mn-N4 delivered a peak power density (Pmax) of 320.6 mW cm−2 at 60°C and a 1.5- to 3-fold higher Pmax at −20°C to −60°C compared to Pt/C. Our mechanistic investigations unveil the electron-deficient nature of Ru nanoclusters activated by the Mn-N4 moieties, which enables the optimized adsorption/dissociation of O2 and facilitates low-temperature protonation of intermediates, resulting in speedy wide-temperature ORR kinetics. This study sets the stage for the deliberate design of ORR electrocatalysts for optimal AWT-ZAB performance.
{"title":"Activating Ru nanoclusters for robust oxygen reduction in aqueous wide-temperature zinc-air batteries","authors":"Rupeng Liu (刘如鹏) , Chunhuan Jiang (姜春环) , Jinhan Guo (郭金函) , Yue Zheng (郑月) , Leting Zhang (张乐婷) , Xiaolong Liang (梁晓龙) , Huimin Gao (高慧敏) , Jiancheng Zhao (赵建成) , Yunhang Fan (范云航) , Qing Chen (陈庆) , Wenhui He (何文辉) , Lehui Lu (逯乐慧)","doi":"10.1016/j.matt.2024.08.005","DOIUrl":"10.1016/j.matt.2024.08.005","url":null,"abstract":"<div><div>Aqueous wide-temperature zinc-air batteries (AWT-ZABs) have the potential to meet the fast-growing energy demand in extreme climates (−60°C to 60°C). However, cathodic oxygen reduction reaction (ORR) kinetics are susceptible to temperature fluctuations. Herein, we present a highly active and durable ORR catalyst composed of Ru nanoclusters and neighboring Mn-N<sub>4</sub> moieties (Ru<sub>NC</sub>@Mn-N<sub>4</sub>). The Ru<sub>NC</sub>@Mn-N<sub>4</sub> achieved a half-wave potential of 0.925 V, surpassing known Ru-based electrocatalysts, with minimal decay after 50,000 cycles. In AWT-ZABs, the Ru<sub>NC</sub>@Mn-N<sub>4</sub> delivered a peak power density (P<sub>max</sub>) of 320.6 mW cm<sup>−2</sup> at 60°C and a 1.5- to 3-fold higher P<sub>max</sub> at −20°C to −60°C compared to Pt/C. Our mechanistic investigations unveil the electron-deficient nature of Ru nanoclusters activated by the Mn-N<sub>4</sub> moieties, which enables the optimized adsorption/dissociation of O<sub>2</sub> and facilitates low-temperature protonation of intermediates, resulting in speedy wide-temperature ORR kinetics. This study sets the stage for the deliberate design of ORR electrocatalysts for optimal AWT-ZAB performance.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 4031-4045"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142130673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.06.048
Jinhu Zhang , Nana Zhou , Erqian Dong , Chuang Zhang , Zhongchang Song , Sheng Liu , Chen Yang , Xiaochun Su , Shujia Wang , Yu Zhang
Dolphins utilize soft forehead tissues for dynamic detection by efficiently transmitting and manipulating broadband acoustic waves. Imparting high acoustic transparency, gradient refractive index, and softness to acoustic functional materials can significantly enhance sound wave manipulation. Conventional metamaterials, consisting of solid and impedance-mismatched meta-atoms, have limitations in achieving acoustic transparency and flexibility. Here, we overcome these constraints with a new class of acoustic soft bio-metamaterials (SBMs) composed of solid microparticles or liquid microdroplets dispersed in a hyper-elastomer. The SBMs exhibit an extraordinary combination of high acoustic transparency with transmission coefficients near 1, a gradient refractive index above 1.25, and a low elastic modulus under 100 kPa comparable to biological tissues. Furthermore, we developed a dolphin-inspired tunable subwavelength acoustic beamformer using SBMs, which can dynamically modulate acoustic beam patterns through mechanical stretching. SBMs offer a new design paradigm for acoustic soft metamaterials and have potential applications in underwater monitoring and biomedical ultrasound.
{"title":"Soft bio-metamaterials with high acoustic transparency and gradient refractive index for tunable acoustic beamformer","authors":"Jinhu Zhang , Nana Zhou , Erqian Dong , Chuang Zhang , Zhongchang Song , Sheng Liu , Chen Yang , Xiaochun Su , Shujia Wang , Yu Zhang","doi":"10.1016/j.matt.2024.06.048","DOIUrl":"10.1016/j.matt.2024.06.048","url":null,"abstract":"<div><div>Dolphins utilize soft forehead tissues for dynamic detection by efficiently transmitting and manipulating broadband acoustic waves. Imparting high acoustic transparency, gradient refractive index, and softness to acoustic functional materials can significantly enhance sound wave manipulation. Conventional metamaterials, consisting of solid and impedance-mismatched meta-atoms, have limitations in achieving acoustic transparency and flexibility. Here, we overcome these constraints with a new class of acoustic soft bio-metamaterials (SBMs) composed of solid microparticles or liquid microdroplets dispersed in a hyper-elastomer. The SBMs exhibit an extraordinary combination of high acoustic transparency with transmission coefficients near 1, a gradient refractive index above 1.25, and a low elastic modulus under 100 kPa comparable to biological tissues. Furthermore, we developed a dolphin-inspired tunable subwavelength acoustic beamformer using SBMs, which can dynamically modulate acoustic beam patterns through mechanical stretching. SBMs offer a new design paradigm for acoustic soft metamaterials and have potential applications in underwater monitoring and biomedical ultrasound.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 3857-3875"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141892145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.matt.2024.10.001
Yuxin Chang , Ian Benlolo , Yang Bai , Christoff Reimer , Daojin Zhou , Hengrui Zhang , Hidetoshi Matsumura , Hitarth Choubisa , Xiao-Yan Li , Wei Chen , Pengfei Ou , Isaac Tamblyn , Edward H. Sargent
The discovery of new electrocatalysts can be aided by density functional theory (DFT) computation of overpotentials based on the energies of chemical intermediates on prospective adsorption sites. We hypothesize that when training a machine learning model on DFT data, one could improve accuracy by introducing a quantitative measure of similarity among adsorption sites. When we augment a graph neural network-based machine learning workflow using similarity as an input feature, we find that the required training dataset size is decreased from 1,600 to 800, leading to a 2× acceleration: the number of DFT calculations required to train to a given level of accuracy is cut in half. This approach identifies Fe0.125Co0.125Ni0.229Ir0.229Ru0.292 as a promising oxygen reduction reaction catalyst with an overpotential of 0.24 V, outperforming a Pt/C benchmark. We examine, by studying experimentally four additional HEAs, the predictive power of the computational approach.
{"title":"High-entropy alloy electrocatalysts screened using machine learning informed by quantum-inspired similarity analysis","authors":"Yuxin Chang , Ian Benlolo , Yang Bai , Christoff Reimer , Daojin Zhou , Hengrui Zhang , Hidetoshi Matsumura , Hitarth Choubisa , Xiao-Yan Li , Wei Chen , Pengfei Ou , Isaac Tamblyn , Edward H. Sargent","doi":"10.1016/j.matt.2024.10.001","DOIUrl":"10.1016/j.matt.2024.10.001","url":null,"abstract":"<div><div>The discovery of new electrocatalysts can be aided by density functional theory (DFT) computation of overpotentials based on the energies of chemical intermediates on prospective adsorption sites. We hypothesize that when training a machine learning model on DFT data, one could improve accuracy by introducing a quantitative measure of similarity among adsorption sites. When we augment a graph neural network-based machine learning workflow using similarity as an input feature, we find that the required training dataset size is decreased from 1,600 to 800, leading to a 2× acceleration: the number of DFT calculations required to train to a given level of accuracy is cut in half. This approach identifies Fe<sub>0.125</sub>Co<sub>0.125</sub>Ni<sub>0.229</sub>Ir<sub>0.229</sub>Ru<sub>0.292</sub> as a promising oxygen reduction reaction catalyst with an overpotential of 0.24 V, outperforming a Pt/C benchmark. We examine, by studying experimentally four additional HEAs, the predictive power of the computational approach.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"7 11","pages":"Pages 4099-4113"},"PeriodicalIF":17.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142489824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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