{"title":"Quantum and classical machine learning investigation of synthesis–structure relationships in epitaxially grown wide band gap semiconductors","authors":"A. S. Messecar, S. M. Durbin, R. A. Makin","doi":"10.1557/s43579-024-00590-z","DOIUrl":"https://doi.org/10.1557/s43579-024-00590-z","url":null,"abstract":"<p>Several hundred plasma-assisted molecular beam epitaxy synthesis experiments of GaN and ZnO thin film crystals were organized into data sets that correlate the operating parameters selected for growth to two figures of merit: a binary determination of surface morphology, and a continuous Bragg–Williams measure of lattice ordering (<i>S</i><sup>2</sup>). Quantum as well as conventional supervised machine learning algorithms were optimized and trained on the data, enabling a comparison of their generalization performance. The models displaying the best generalization performance on each data set were subsequently used to predict each figure of merit across the ZnO and GaN processing spaces.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"9 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yongjun Kwon, Binhong Wu, Ning Zhang, David Hand, Tianyou Mou, Xue Han, Qiaowan Chang
{"title":"Recent advances in integrated capture and electrochemical conversion of CO2","authors":"Yongjun Kwon, Binhong Wu, Ning Zhang, David Hand, Tianyou Mou, Xue Han, Qiaowan Chang","doi":"10.1557/s43579-024-00575-y","DOIUrl":"https://doi.org/10.1557/s43579-024-00575-y","url":null,"abstract":"<p>Capturing and electrochemically converting carbon dioxide (CO<sub>2</sub>) from industrial point sources, such as flue gas, is a promising approach to mitigate the greenhouse effect and protect the environment. However, these processes are characterized by high energy consumption and low energy efficiency, which need optimization. This prospective article provides a summary of the current strategies for capturing and electrochemically converting dilute CO<sub>2</sub> into valuable products. We will summarize strategies for capture and electrochemical reduction of CO<sub>2</sub> in a dilute stream, compare the advantages and disadvantages of using amines, membranes, alkaline solutions, and molten salts for CO<sub>2</sub> capture and conversion, and discuss the effects of CO<sub>2</sub> concentrations and typical impurities in flue gas (NO<sub>x</sub>, SO<sub>x</sub>, and O<sub>2</sub>) on the performance of electrochemical CO<sub>2</sub> conversion. We will also provide an outlook on future opportunities for developing integrated processes for capturing and electrochemically converting CO<sub>2</sub> to valuable products.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"2016 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ali Matin Nazar, Haifei Zhu, Haibo Xu, Zhiming Zhang, Arash Rayegani, Maria Rashidi
{"title":"Magnetically circular layered triboelectric nanogenerators by advanced self-sensing composites","authors":"Ali Matin Nazar, Haifei Zhu, Haibo Xu, Zhiming Zhang, Arash Rayegani, Maria Rashidi","doi":"10.1557/s43579-024-00583-y","DOIUrl":"https://doi.org/10.1557/s43579-024-00583-y","url":null,"abstract":"<p>This paper provides a numerical simulation study of Magnetically Circular Layers of Triboelectric Nanogenerators (MCL-TENGs) for energy harvesting and self-powered sensing. The MCL-TENGs generate electrical energy by means of the conversion of mechanical energy into electrical energy through contact electrification and electrostatic induction. This paper concentrates on the numerical modeling of the copper/aluminum MCL-TENG and compares simulation results with experimental findings. The voltage comparison of copper MCL-TENGs (OC) between experimental and numerical simulations at 2000, 2500, and 3000 rpm showed Cu-EXP configuration voltages ranging from 4.1 to 4.4 V and Cu-FEM setup voltages ranging from 4 to 4.4 V. Meanwhile, aluminum MCL-TENGs showed Al-EXP configuration voltages ranging from 4.08 to 4.35 V and Al-FEM setup voltages ranging from 4 to 4.3 V across the third layer. The system can enhance the energy efficiency and sustainability of coastal bridge infrastructure by harvesting surplus energy from mechanical motion and converting it to electricity for self-powered sensing and monitoring systems.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"40 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. C. Maciel Arreola, J. A. Medina Cervantes, R. I. Yocupicio Gaxiola, A. Infantes Molina, R. Huirache-Acuña, S. Fuentes Moyado, G. Alonso Núñez
{"title":"Si-pillared MFI zeolites as promising supports for HDS catalysts","authors":"M. C. Maciel Arreola, J. A. Medina Cervantes, R. I. Yocupicio Gaxiola, A. Infantes Molina, R. Huirache-Acuña, S. Fuentes Moyado, G. Alonso Núñez","doi":"10.1557/s43579-024-00603-x","DOIUrl":"https://doi.org/10.1557/s43579-024-00603-x","url":null,"abstract":"<p>Nickel and cobalt sulfide-based catalysts supported on a silicon-pillared MFI zeolite were synthesized, characterized, and tested in the hydrodesulfurization reaction of dibenzothiophene. The metallic phases were incorporated by following the incipient wetness impregnation process, and different techniques were employed to determine the physicochemical properties of the obtained catalysts, such as X-ray diffraction, N<sub>2</sub> adsorption–desorption at – 196 °C, Infrared Spectroscopy and High-Resolution Transmission Electron Microscopy. The catalytic performance in the hydrodesulfurization of dibenzothiophene showed that the NiW catalyst was the most active due to the redispersion of NiS on WS<sub>2</sub> to form the active NiWS phase. Instead, the desired CoWS phase did not occur under the presence of cobalt, and therefore, the catalytic performance worsened.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"37 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sebastian Kharileh, Kariman Shama, Mariah Turner, Brittany Taylor
{"title":"Temporally controlling the release of biofactors from polymeric microspheres","authors":"Sebastian Kharileh, Kariman Shama, Mariah Turner, Brittany Taylor","doi":"10.1557/s43579-024-00600-0","DOIUrl":"https://doi.org/10.1557/s43579-024-00600-0","url":null,"abstract":"<p>To improve the integrity of tendons, mitigating scar tissue formation by targeting the cellular activities that contribute to fibrosis during healing is crucial. Microparticles are a promising solution by delivering biofactors directly to the injury site. We synthesized poly (lactic-co-glycolic acid) microspheres with Labrafil oil to control the release profile. The release of biofactors was initially delayed, followed by an increased release rate. Thus, by increasing the hydrophobicity of the polymer, Labrafil oil delays microsphere degradation and ultimately controls the release of an encapsulated factor. Further, the system can be utilized for multi-factorial release to temporally complement tendon healing.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"16 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A mechano-diffusion characterization platform for probing strain-programmable nanoparticle diffusion in hydrogels","authors":"Chuwei Ye, Shaoting Lin","doi":"10.1557/s43579-024-00596-7","DOIUrl":"https://doi.org/10.1557/s43579-024-00596-7","url":null,"abstract":"<p>Nanoparticle diffusion is a fundamental process that ubiquitously exists in life science and engineering technology. Recent studies demonstrate the potential of harnessing mechanical deformation to program nanoparticle diffusion in hydrogels, offering an expanded spectrum of nanoparticle diffusivities with precise and on-demand control. Here, we develop a mechano-diffusion characterization platform (MDCP) that integrates a mechanical system to apply controlled tension and torsion loads to deformable mediums, and an imaging system to capture spatiotemporal diffusion profiles of nanoparticles. Employing the MDCP, we study the impact of mechanical deformation on nanoparticle diffusion in hydrogels subjected to controlled stress states and loading rates.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"26 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Blessing I. Hammer, Ranjitha K. Hariharalakshmanan, S. M. Sayem, Shanzida Haque, Tansel Karabacak
{"title":"Durability of metal oxide nanostructures synthesized by hot water treatment","authors":"Blessing I. Hammer, Ranjitha K. Hariharalakshmanan, S. M. Sayem, Shanzida Haque, Tansel Karabacak","doi":"10.1557/s43579-024-00604-w","DOIUrl":"https://doi.org/10.1557/s43579-024-00604-w","url":null,"abstract":"<p>Metal oxide nanostructures (MONSTRs) have become popular in various fields. This study investigates the durability of MONSTRs synthesized through hot water treatment (HWT) using copper, aluminum, and zinc as the source metals of choice. The physical durability tests include pressure, scratch, and scotch tape adhesion tests, and chemical durability tests such as corrosion resistance tests, heat resistance, and solar exposure tests. Results showed that MONSTRs synthesized from HWT are highly durable under the tested conditions except for NaOH and HCl immersion tests for copper oxide and zinc oxide. The study concluded that HWT is a sustainable synthesis method for MONSTRs.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"87 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The oxygen plasma etching behavior onto diamond-like carbon coating for micro-texturing: Experimental and molecular dynamics study","authors":"Ersyzario Edo Yunata, Evi Suaebah, Rizal Arifin","doi":"10.1557/s43579-024-00605-9","DOIUrl":"https://doi.org/10.1557/s43579-024-00605-9","url":null,"abstract":"<p>In this study, the experiment and molecular dynamic simulations were used to show how oxygen plasma etching works on diamond-like carbon (DLC) for micro-texturing. On the experimental side, C–C bonds on the DLC were dissociated by the irradiated oxygen. The physical bombardment of reactive oxygen ions selectively removes the carbon atoms in the unmasked area via the generation and desorption of gaseous carbon monoxide and carbon dioxide molecules. Molecular dynamic simulation exhibits the reactivity of O<sub>2</sub> molecules with C atoms in the DLC. The quantity of O<sub>2</sub> molecules and the formation of new molecules (CO) were proven in this simulation.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"3 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570135","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Toward soft robotic inspection for aircraft: An overview and perspective","authors":"LoriAnne Groo, Abigail T. Juhl, Luke A. Baldwin","doi":"10.1557/s43579-024-00586-9","DOIUrl":"https://doi.org/10.1557/s43579-024-00586-9","url":null,"abstract":"<p>Aircraft in both the commercial and defense sectors undergo significant disassembly in order to access and inspect critical structures and components. To limit the extent of disassembly needed and thus increase system availability, the concept of mobile robotic inspection has been notionally discussed for over 20 years. Notably this interest in mobile robotic inspection extends beyond aircraft to include civil infrastructure, pipelines, and nuclear plants where some robotic platforms are currently in use. However, the unique challenges associated with complex aircraft systems and structures remain to be addressed. With advancements in the fields of durable polymers, autonomous materials, flexible electronics, tailorable actuation, and others, soft robotics are an increasingly viable solution to the challenge of inspection in access-limited spaces. This perspective article will overview key advancements in pertinent technical areas and highlight scientific barriers to wide-spread use and acceptance of soft robotics for aircraft inspection.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"75 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141549704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ngo Huyen Ngan, Vu Tien Lam, Nguyen Huu Lam, Pham Thi Huyen, Duong Quoc Van, Nguyen Hoang Thoan, Dang Duc Dung
{"title":"Structural, electronic and optical properties of complex lead-free ferroelectric Ba0.7Ca0.3TiO3 materials: A DFT study","authors":"Ngo Huyen Ngan, Vu Tien Lam, Nguyen Huu Lam, Pham Thi Huyen, Duong Quoc Van, Nguyen Hoang Thoan, Dang Duc Dung","doi":"10.1557/s43579-024-00599-4","DOIUrl":"https://doi.org/10.1557/s43579-024-00599-4","url":null,"abstract":"<p>The effect of randomly distributed Ca dopants within the BaTiO<sub>3</sub> lattice was investigated using first principle calculations. We examined electronic properties to understand how different orbitals contribute to the conduction and valence bands in doped materials. Our findings indicate that the valence band is primarily composed of Ti-3<i>d</i> and O-2<i>p</i> orbital states, while the conduction band is influenced by the collective contributions of Ba-4<i>d</i>, Ti-3<i>d</i>, and Ca-3<i>d</i> orbital states. Additionally, our results demonstrate a reduction in the bandgap due to Ca doping, with the extent of variation depending on the substituted sites of the Ca atoms. Furthermore, we investigated modifications in optical properties such as absorption, conductivity, dielectric function, refractive index, extinction coefficient, loss function, and reflectivity in the energy range from 0 to 40 eV. The findings reveal the stability of these characteristics in the infrared and visible light regions, and they also depend on the site substitution of Ca cations within the BaTiO<sub>3</sub> lattice. We expected that our findings would deepen the understanding of the mechanism and site effect of Ca dopant on the properties of BaTiO<sub>3</sub> materials, thereby contributing to the development of lead-free ferroelectric materials with enhanced properties for multifunctional applications.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":19016,"journal":{"name":"MRS Communications","volume":"234 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}