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1. Ethane dehydrogenation performance and high temperature stability of silica supported cobalt phosphide nanoparticles

   https://doi.org/10.1039/D1CY01737C  

   Muhlenkamp, Jessica A.; LiBretto, Nicole J.; Miller, Jeffrey T.; Hicks, Jason C. (February 2022, Catalysis Science & Technology)

   A series of Co–P materials with varying P : Co ratio from 0 to 4 supported on SBA-15 were evaluated for ethane dehydrogenation (EDH) performance. In comparison to monometallic Co, the Co–P materials have improved ethylene selectivity from 41% for Co to 88–90% for Co–P, which was attributed to the segregation of Co atoms and the formation of partial positive Co δ + sites in the Co–P materials due to charge transfer. Among the Co–P materials studied, an optimum in stability was observed in those containing a P : Co ratio in the range 1 to 2. Below this range, limited P is available to adequately separate Co atoms. Above this range, the excess P promotes coke formation through possible acid catalyzed pathways. The stability of two of the Co–P materials containing the Co 2 P and CoP phase, respectively, were further tested for EDH at 700 °C. Under these conditions, the ethylene selectivity was 98%, and both materials remained active with little to no deactivation for over 4 h. In comparison to a Pt–Sn reference, both Co–P materials showed vastly improved stability. Additionally, both Co–P materials showed no signs of sintering after EDH at 700 °C and maintained their respective Co 2 P and CoP phases. These results demonstrate the catalytic improvement with P incorporation and highlights the high stability of Co–P, and possibly other metal phosphides, as high temperature EDH catalysts. 

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2. Materials scarcity during the clean energy transition: Myths, challenges, and opportunities

   https://doi.org/10.1557/s43581-023-00077-9  

   Ku, Anthony Y.; Kocs, Elizabeth A.; Fujita, Yoshiko; Haddad, Andrew Z.; Gray, IV, Robert W. (January 2024, MRS Energy & Sustainability)

   AbstractEfforts to reach net zero targets by the second half of the century will have profound materials supply implications. The anticipated scale and speed of the energy transition in both transportation and energy storage raises the question of whether we risk running out of the essential critical materials needed to enable this transition. Early projections suggest that disruptions are likely to occur in the short term for select critical materials, but at the same time these shortages provide a powerful incentive for the market to respond in a variety of ways before supply-level stress becomes dire. In April 2023, the MRSFocus on Sustainability subcommitteesponsored a panel discussion on the role of innovation in materials science and engineering in supporting supply chains for clean energy technologies. Drawing on examples from the panel discussion, this perspective examines the myth of materials scarcity, explains the compelling need for innovation in materials in helping supply chains dynamically adapt over time, and illustrates how the Materials Research Society is facilitating engagement with industry to support materials innovation, now and in the future. Graphical Abstract HighlightsIn this commentary, we examine the myth of materials scarcity, explain the compelling need for innovation in materials in helping supply chains dynamically adapt over time, and show how the materials research community can effectively engage with industry, policymakers, and funding agencies to drive the needed innovation in critical areas. DiscussionDemand for certain materials used in clean energy technologies is forecasted to increase by multiples of current production over the next decades. This has drawn attention to supply chain risks and has created a myth that we will “run out” out of certain materials during the energy transition. The reality is that markets have multiple mechanisms to adapt over the long-term, and near-term shortages or expectations of shortages provide a powerful incentive for action. In this commentary, we highlight different ways materials innovation can help solve these issues in the near term and long term, and how the materials research community can effectively engage with industry and policymakers. 

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3. MaterialsAtlas.org: a materials informatics web app platform for materials discovery and survey of state-of-the-art

   https://doi.org/10.1038/s41524-022-00750-6  

   Hu, Jianjun; Stefanov, Stanislav; Song, Yuqi; Omee, Sadman Sadeed; Louis, Steph-Yves; Siriwardane, Edirisuriya M. D.; Zhao, Yong; Wei, Lai (April 2022, npj Computational Materials)

   Abstract The availability and easy access of large-scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and generative design of materials. However, the lack of user-friendly materials informatics web servers has severely constrained the wide adoption of such tools in the daily practice of materials screening, tinkering, and design space exploration by materials scientists. Herein we first survey current materials informatics web apps and then propose and develop MaterialsAtlas.org, a web-based materials informatics toolbox for materials discovery, which includes a variety of routinely needed tools for exploratory materials discovery, including material’s composition and structure validity check (e.g. charge neutrality, electronegativity balance, dynamic stability, Pauling rules), materials property prediction (e.g. band gap, elastic moduli, hardness, and thermal conductivity), search for hypothetical materials, and utility tools. These user-friendly tools can be freely accessed athttp://www.materialsatlas.org. We argue that such materials informatics apps should be widely developed by the community to speed up materials discovery processes. 

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4. The materials tetrahedron has a “digital twin”

   https://doi.org/10.1557/s43577-021-00214-0  

   Deagen, Michael E.; Brinson, L. Catherine; Vaia, Richard A.; Schadler, Linda S. (February 2022, MRS Bulletin)

   AbstractFor over three decades, the materials tetrahedron has captured the essence of materials science and engineering with its interdependent elements of processing, structure, properties, and performance. As modern computational and statistical techniques usher in a new paradigm of data-intensive scientific research and discovery, the rate at which the field of materials science and engineering capitalizes on these advances hinges on collaboration between numerous stakeholders. Here, we provide a contemporary extension to the classic materials tetrahedron with a dual framework—adapted from the concept of a “digital twin”—which offers a nexus joining materials science and information science. We believe this high-level framework, the materials–information twin tetrahedra (MITT), will provide stakeholders with a platform to contextualize, translate, and direct efforts in the pursuit of propelling materials science and technology forward. Impact statementThis article provides a contemporary reimagination of the classic materials tetrahedron by augmenting it with parallel notions from information science. Since the materials tetrahedron (processing, structure, properties, performance) made its first debut, advances in computational and informational tools have transformed the landscape and outlook of materials research and development. Drawing inspiration from the notion of a digital twin, the materials–information twin tetrahedra (MITT) framework captures a holistic perspective of materials science and engineering in the presence of modern digital tools and infrastructures. This high-level framework incorporates sustainability and FAIR data principles (Findable, Accessible, Interoperable, Reusable)—factors that recognize how systems impact and interact with other systems—in addition to the data and information flows that play a pivotal role in knowledge generation. The goal of the MITT framework is to give stakeholders from academia, industry, and government a communication tool for focusing efforts around the design, development, and deployment of materials in the years ahead. Graphic abstract 

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5. In-plane anisotropic two-dimensional materials for twistronics

   https://doi.org/10.1088/1361-6528/ad2c53  

   Kim, Hangyel; Kim, Changheon; Jung, Yeonwoong; Kim, Namwon; Son, Jangyup; Lee, Gwan-Hyoung (April 2024, Nanotechnology)

   Abstract In-plane anisotropic two-dimensional (2D) materials exhibit in-plane orientation-dependent properties. The anisotropic unit cell causes these materials to show lower symmetry but more diverse physical properties than in-plane isotropic 2D materials. In addition, the artificial stacking of in-plane anisotropic 2D materials can generate new phenomena that cannot be achieved in in-plane isotropic 2D materials. In this perspective we provide an overview of representative in-plane anisotropic 2D materials and their properties, such as black phosphorus, group IV monochalcogenides, group VI transition metal dichalcogenides with 1T′ and T_dphases, and rhenium dichalcogenides. In addition, we discuss recent theoretical and experimental investigations of twistronics using in-plane anisotropic 2D materials. Both in-plane anisotropic 2D materials and their twistronics hold considerable potential for advancing the field of 2D materials, particularly in the context of orientation-dependent optoelectronic devices. 

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