Center For Materials Science Research Articles

The Journey from Porous Materials to Metal-organic Frameworks and their Catalytic Applications: A Review.

Metal-Organic Frameworks (MOFs), a class of inorganic-organic hybrid materials, have been at the center of material science for the past three decades. They are synthesized by metal ions and organic linker precursors and have become very potential materials for different applications ranging from sensing, separation, catalytic behaviour to biomedical applications and drug delivery, owing to their structural flexibility, porosity and functionality. They are also very promising in heterogeneous catalysis for various industrial applications. These catalysts can be easily synthesized with extremely high surface areas, tunable pore sizes, and incorporation of catalytic centers via post-synthetic modification (PSM) or exchange of their components as compared to traditional heterogeneous catalysts, which is the preliminary requirement of a better catalyst. Here, in this review, we have presented the history of MOFs, different synthesis procedures, and MOFcatalysed reactions; for instance, coupling reactions, condensation reactions, Friedel-Crafts reaction, oxidation, etc. Special attention has been given to MOFs containing different catalytic centers, including open metal sites, incorporation of catalytic centers through PSM, and bifunctional acidbase sites. The important role of catalytic centers present in MOFs and reaction mechanisms have also been outlined with examples.

A Collaboration for Guiding the Rational Design of Multielement Solid Catalysts

AbstractThis invited Team Profile was created by the Inorganic Chemistry and Catalysis group, Department of Chemistry, University of Utrecht, the Netherlands; X‐ray Laboratory, Department of Physics, University of Helsinki, Finland; Laboratory of Inorganic Chemistry, Department of Chemistry and Applied Biosciences, ETH Zürich, Switzerland; Center for Materials Science and Nanotechnology, Department of Physics, University of Oslo, Norway; and Catalysis Research Center, Department of Chemistry, University of Oslo, Norway. They recently published an article on their successfully designed laboratory‐based setup enabling operando multi‐edge X‐ray absorption near‐edge structure (XANES), which offers possibilities for advanced catalyst characterization, as demonstrated for mono‐, bi‐, and trimetallic CO2 hydrogenation catalysts consisting of Ni, Cu, and Fe. Synergistic effects during catalyst reduction and their influence on catalytic performance were unravelled, guiding rational design of multielement solid catalysts for various applications. “Operando Laboratory‐based Multi‐edge X‐ray Absorption Near‐Edge Spectroscopy of Solid Catalysts”, N. S. Genz, A.‐J. Kallio, R. Oord, F. Krumeich, A. Pokle, Ø. Prytz, U. Olsbye, F. Meirer, S. Huotari, B. M. Weckhuysen, Angew. Chem. Int. Ed. 2022, e202209334; Angew. Chem. 2022, e202209334.

Structure, segregation and properties of high-alloy Al – Ti – V – Ni alloys

Using optical and electron scanning microscopy, as well as electron probe microanalysis and X-ray diffraction analysis, the authors looked at the structure, segregation and properties (hardness HRA, microhardness HV) of high-alloy Al – Ti – V – Ni alloys. It was established how the structure tends to change and how elements of the structural components of the studied alloys (1–5) tend to distribute as a function of V and Ni concentration. Using electron probe microanalysis, the structural conponents of the studied alloys were identified depending on V and Ni concentration. 1. The initial alloy 1 sees vanadium aluminide Al3(V, Ti) solidify from Al – Ti – V – Ni (wt. %: 24.6 V, 0 Ni), as well as alloyed vanadium carbide. The former solidifies as grey-coloured grains with a minimum size of 25 μm and serves as the base phase, whereas tha latter comes in a spiky shape (<25 μm). A blackish-coloured mixture of Al + Al3Ti + Al21V2 solidifies last. 2. Alloy 2 sees nickel aluminide Al3Ni solidify from Al – Ti – V – Ni (17 wt. % V, 7.2 wt. % Ni) as fine-grained light-coloured inclusions against a background of vanadium aluminate Al2(V, Ti), which is the key structural component of the alloy. Together with the above phases, alloyed titanium carbide (Al, Ti, V)3C forms in the alloy as compact grey-coloured grains. A phase mixture of Al + + Al3Ni + Al3Ti + Al21V2 solidifies last. 3. The following phases solidify in alloys 3–5 from Al – Ti – V – Ni (0–10.7 wt. % V; 13.5–23.8 wt. % Ni): β'-phase – a solid solution of Ni in nickel aluminide AlNi, which comes as fine-grained white-coloured inclusions against a background of nickel aluminide Al3Ni, which is the base phase. The next phase includes compact dark-grey grains of titanium carbide Ti2C. Alloys 4–5 see a new phase form – a complex alloyed titanium aluminide Al3(Ti, V, Ni), which consists of dark-grey oblong-shaped crystals. A phase mixture of Al + Al3Ni + Al3Ti + Al21V2 solidifies last. Even though the stoichiometry of the identified phases fails to match the results of electron probe microanalysis, the results of X-ray diffraction analysis confirms the presence of the key structural components in the studied alloys.This research was carried out using the equipment of the Applied Materials Science Centre at the Pacific National University. It was funded by the Ministry of Education and Science of the Russian Federation under Gove rnmental Assignment No. FEME-2020-0010.

Digital sovereignty of Russia based on the element base of topological nanostructures on a solid surface induced by laser radiation

The purpose of this work is to develop breakthrough technologies and technology transfer in the field of topological photonics, nanoelectronics and new materials with controlled functional and structural characteristics using a unique line of the Vladimir State University (VlSU) equipment (within the framework of the corresponding created structures - Centre of collective use, Center for Structural Materials Science and Breakthrough Engineering Physical Technologies, Center for Engineering Competencies, etc.) for carrying out work in the direction of high-tech industrial sectors. The report deals with the following issues on this topic: basic physical and scientific and technical principles, methods for measuring laser-induced structures on the surface of materials in real time, obtaining surface nanostructures on solid materials by deposition from colloidal systems using a two-stage scheme with laser ablation, modeling macroscopic quantum states in the functional properties of laser-induced 4d-topological nanoclusters in thin films on a solid surface and experimental demonstration of the work of real prototypes.

Sterling boosts drugmaking capacity

Sterling Pharma Solutions will spend $13 million to add process development labs and commercial-scale manufacturing equipment for pharmaceutical chemicals at its site in Dudley, England. The project includes adding a 4.5 m 3 hydrogenator. Kilogram-scale labs equipped for biocatalysis will also be added to the Materials Science Centre that Sterling opened at the Dudley site last year.

Review and Prospect on the Construction and Development of National Experimental Teaching Center for Materials Science and Engineering

Taking the Experimental Teaching Center of Materials Science and Engineering of Wuhan University of Technology as an example, this paper introduces the construction and development process of undergraduate laboratories in colleges and universities in detail. The development of the laboratories has experienced the stages of adjustment and reconstruction, standardized management, and experimental teaching system reform. Now it is in the stage of information construction and experimental teaching mode reform. Experimental teaching focuses on the student-centered and results-oriented teaching concept, and comprehensively improves students’ comprehensive ability and professional quality.

Treasures of the 10th – 13th Centuries from Materials of Soldirsky I Hillfort Idnakar

Treasures were discovered during archaeological research of the Idnakar hillfort in 1976–1999. Two treasures were found on the middle square of the hillfort. The third treasure was found on the territory of internal fortifications, another one – outside the middle line of fortifications. Patterns in the location of the treasures relative to the planning objects are not revealed. The nature of the complexes is diverse. In general, jewelry dominates. Two treasures contain metal ingots and unfinished products. This indicates their local production. A treasure containing imported vessels is an important source for the analysis of trade and economic relations of the medieval population of the Cheptsa River Basin. Jewelry from treasures is dated to the period of 10th –13th centuries. Similar products were found in the materials of medieval monuments of the Finno-Ugric population of Eastern Europe. Data on the elemental composition of metal products from treasures are published. Metal research was carried out by Bazhen Evgenievich Pushkarev, Candidate of Technical Sciences (Scientific Center for Metallurgical Physics and Materials Science, Udmurt Federal Research Center, Ural Branch of the Russian Academy of Sciences). Earrings and ritual bowls were made of silver. Pendants, jewelry items and metal ingots were made of copper alloys (pure copper, bronze, brass). Alloy formulations vary, which is typical of the medieval metal of the Cheptsa River Basin.

III-V-on-Si Tandem Solar Cells

Kaitlyn VanSant received a bachelor's degree in Astronomy-Physics from Whitman College, a master's degree in Physics from Portland State University, and a PhD in Materials Science from Colorado School of Mines. Her PhD research focused on the <b>design, fabrication, and characterization</b> of 3- and 4-terminal III-V-on-Si tandem solar cells. She is also interested in photovoltaic failure and degradation modes at both the cell and module level. She is currently a NASA Postdoc Program Fellow conducting perovskite solar cell research for space applications, as part of a collaboration between NASA's Glenn Research Center and NREL. Emily Warren received her BS in Chemical Engineering from Cornell University, then studied Engineering for Sustainable Development at Cambridge before completing her PhD in Chemical Engineering at Caltech in 2013. She is a staff scientist at NREL. Her research interests include high- efficiency tandem photovoltaics, semiconductor growth and processing, and new architectures for solar fuel generation. Adele Tamboli received her PhD in Materials from the University of California, Santa Barbara in 2009, followed by postdoctoral research in Applied Physics at the California Institute of Technology. She currently works in the Materials Science Center at the National Renewable Energy Laboratory in Golden, Colorado and holds a joint appointment at the Colorado School of Mines. Her research focuses on improved device architectures for multijunction solar cells, including three- and four-terminal, III-V/Si tandems. She also has an active research program in the discovery and development of new semiconductor materials for energy applications.

Mechanics of randomly packed filaments—The “bird nest” as meta-material

Systems of randomly packed, macroscopic elements, from jammed spherical grains to tangled long filaments, represent a broad class of disordered meta-materials with a wide range of applications and manifestations in nature. A “bird nest” presents itself at an interface between hard round grains described by granular physics to long soft filaments, the center of textile material science. All of these randomly packed systems exhibit forms of self-assembly, evident through their robust packing statistics, and share a common elastoplastic response to oedometric compression. In reviewing packing statistics, mechanical response characterization, and consideration of boundary effects, we present a perspective that attempts to establish a link between the bulk and local behavior of a pile of sand and a wad of cotton, demonstrating the nest’s relationship with each. Finally, potential directions for impactful applications are outlined.

How Much Will Gallium Oxide Power Electronics Cost?

Samantha Bench Reese is a senior engineer at the Strategic Energy Analysis Center at National Renewable Energy Laboratory (NREL). As an analyst, Samantha helps put early-stage research problems in context of technoeconomic tradeoffs and analytically shows technology potential through supply-chain analysis, trade-flow mapping, market research, and building bottom-up cost models. Prior to joining NREL, she helped transition products from R&D to volume manufacturing. Samantha's background is in mechanical and electrical engineering. She received an M.S. in Engineering and Applied Science from Yale University and a B.S. in Engineering and Applied Science from California Institute of Technology (Caltech). Timothy Remo is a manufacturing analyst in the Techno-Economic Analysis Group in the Strategic Energy Analysis Center at NREL. Tim’s areas of expertise include cost analysis of semiconductor manufacturing, process development and process optimization, and design of experiments. His research interests include cost-competitive renewable energy alternatives, economics of changing energy costs and demand, and challenges associated with smarter grid technology. Prior to joining NREL, Tim was a process and product engineer in the semiconductor and photovoltaics industry. Tim received his B.S. in Mechanical Engineering from University of South Florida and B.A. in Physics from University of Florida. Johney Green Jr. is an Associate Laboratory Director for Mechanical and Thermal Engineering Sciences (MTES) at NREL. He oversees NREL's transportation, buildings, wind, water, geothermal, advanced manufacturing, and concentrating solar power research programs. Prior to joining NREL, Johney held a number of leadership roles at Oak Ridge National Laboratory (ORNL), served as technical coordinator at the U.S. Department of Energy, and worked with Ford Motor Company. Green has received several awards during his career and served on numerous advisory boards. Dr. Green received his Mechanical Engineering degrees from Georgia Institute of Technology (Ph.D., M.S.) and The University of Memphis (B.S.). Andriy Zakutayev is a scientist at Materials Science Center at NREL, leading a team working on new materials for advanced energy technologies. His research interests include discovery and development of materials for solar cells, Li-ion batteries, fuel cells, power electronics, and other renewable energy technologies. Andriy is an author of more than 100 peer-reviewed publications and a reviewer for more than 50 scientific journals. He has received an EMRS Young Scientist Award along with many other professional recognitions. Dr. Zakutayev received his Ph.D. in Physics from Oregon State University and B.S. in Electronics from Lviv Polytechnic National University (Ukraine).

A beamline for fundamental neutron physics at TRIUMF

This article describes the new primary proton beamline 1U at TRIUMF. The purpose of this beamline is to produce ultracold neutrons (UCN) for fundamental-physics experiments. It delivers up to 40µA of 480MeV protons from the TRIUMF cyclotron to a tungsten spallation target and uses a fast kicker to share the beam between the Center for Molecular and Materials Science and UCN. The beamline has been successfully commissioned and operated with a beam current up to 10µA, facilitating first large-scale UCN production in Canada.

Effect of neutron irradiation on Nb3Sn wire

A Nb3Sn wire which was manufactured for the ITER toroidal field coil conductor by a bronze route process was prepared for this study to investigate the effect of neutron irradiation on the critical current in a high magnetic field. The critical current of the virgin wire was measured in liquid helium with a 28 T hybrid superconducting magnet at the High Field Laboratory for Superconducting Materials in Tohoku University. It was also measured in vacuum with a heat conduction type variable temperature insert (VTI) at the International Research Center for Nuclear Materials Science at Tohoku University. The wire was irradiated at below 100 °C by fission neutrons at up to 4.9 × 1022 neutrons m−2 (>0.1 MeV) at BR2 in Belgium, and the critical current after the irradiation was evaluated with a VTI in the range of 8–15.5 T. The difference of the critical current measured with two facilities was discussed, focussing on Joule heating of the sample holder which was made of pure copper, and the neutron irradiation effect on the critical current was investigated in the range of up to 15.5 T. The results show that the critical current measured in vacuum becomes lower than that in liquid helium because of the temperature rise of the sample holder where the sample was soldered, the critical current was increased by the neutron irradiation, and the current ratio (IC/IC0) was almost constant of 1.75 in the range of 8–15.5 T at around 4 K.

Physical Modelling of Degassing Process by Blowing of Inert Gas

1. The work was created under the support of the Czech Ministry of Industry and Trade within the frame of the programme TRIO in the solution of the projects reg. No. FV10080 “Research and Development of Advanced Refining Technologies of Aluminium Melts for Increase in Product Quality” and project No. LO1203 “Regional Materials Science and Technology Centre - Feasibility Program” funded by the Ministry of Education, Youth and Sports of the Czech Republic and from the support of “Student Grant Competition” projects, No. SP2018/77 and SP2018/60. This paper was created with the financial support of Polish Ministry for Science and Higher Education under internal grant BK-221/RM0/2018 for Faculty of Materials Engineering and Metallurgy, Silesian University of Technology, Poland.

Photo De-colorization of Cibacron Brilliant Yellow Dye Using ZnO Photo Catalyst under Sunlight

Progress in Petrochemical Science Photo De-colorization of Cibacron Brilliant Yellow Dye Using ZnO Photo Catalyst under Sunlight Namratha K1,2, Byrappa K1,2* and Deepthi BK1,2 1DOS in Earth Science Manasagangothri, University of Mysore, India 2Center for Material Science and Technology, University of Mysore, India *Corresponding author: K Byrappa, Center for Materials Science and Technology, University of Mysore, Vijnan Bhavan, P.B. No. 21, Manasagangothri, Mysore-570006, India Submission: January 25, 2018; Published: February 23, 2018 DOI: 10.31031/PPS.2018.01.000505 ISSN 2637-8035Volume1 Issue1

Preface

The International Conference on Advanced Materials and New Technologies in Modern Materials Science was held at Tomsk Polytechnic University, 9-11 November, 2015. The conference was organized by major Siberian institutions: National Research Tomsk Polytechnic University, Institute of Strength Physics and Materials Science SB RAS, Russian Materials Science Center, National Research Tomsk State University, Novosibirsk State Technical University, Novosibirsk, Russian Federation.The Conference brought together academics, professionals and young researchers to discuss the current issues of the development and manufacturing of construction materials, improving their properties, as well as the creation of new materials based on new ideas about the nature of the behavior of a solid body under external impact.

ACADEMICIAN ANTSIFEROV’S SCHOOL

The article is dedicated to the memory of Academician V.N. Antsiferov, the outstanding Russian scientist who significantly contributed to the materials science. The article describes his steps of becoming a scientist; the history of establishing the Russian largest scientific center of powder material science as being the Antsiferov’s School; Antsiferov’s activity as the director of this Center, the Professor holding a Chair in the Technical University, the Academician of the Russian Academy of Sciences. The article highlights the most important research results of the scientist and the group he headed in the field of powder metallurgy and materials science for the aerospace complex, machine and instrument making industry, oil production and other industries.

Computational Materials Data: An Update

The June 2011 announcement of the Materials Genome Initiative (MGI) by the National Science and Technology Council of the Executive Office of the President [1] spurred a significant amount of activity in the materials science and engineering world on issues related to materials data and data-driven approaches for developing new materials and processing methods. MGI, in many ways, builds on previous U.S. and international efforts to promote the development and use of integrated computational materials engineering (ICME) as a way to accelerate advanced materials discovery and deployment. In April 2012, one of the authors published a guest editorial in this journal [2] describing efforts being undertaken by ASM International to support the goals of the MGI. At that time, ASM had recently announced the launch of a national Center for Computational Materials Science and Engineering Data (CCMSED); the name was changed later that year to the current Computational Materials Data (CMD) Network. Then as now, the objective of the CMD Network is to collect, refine, and disseminate information and resources to assist the MGI/ ICME community with its materials data challenges and needs. Since its launch, the CMD Network has had an active role in a number of collaborative projects, providing materials data management guidance and support. The experience and insights gained in the course of this work, as noted in Table 1, are made available to all on the CMD Network web site [3]. Structural Materials Data Demonstration Project

(Invited) Development of Bimetallic Electrocatalysts and Electrodes for Carbon Dioxide Electrolysis Via Direct Deposition Strategies

The development of energy efficient carbon dioxide (CO2) electroreduction processes would simultaneously curb anthropogenic CO2 emissions and provide suistainable pathways for fuel generation. If such electroreactors employed CO2 feedstocks from major emission sources (e.g., thermal power plants) and excess electricity from intermittent locally-available renewable resources (e.g., solar, wind), then chemicals of economic value could be generated in a carbon neutral fashion [1]. While significant efforts have been focused on heterogeneous CO2 electroreduction to various products including carbon monoxide (CO), formic acid, and methanol; to date, no process has been able to demonstrate both high energetic efficiencies and high current densities [2]. A key challenge in the development of active, selective, and stable electrocatalysts is translating performance nanomaterials to appropriate electrodes which augment catalyst activity by maximizing surface area, facilitate species transfer, and minimize undesirable side reactions [3,4]. Direct deposition (e.g., electrodeposition, galvanic replacement) of nanostructured electrocatalysts onto microporous metal foam electrodes may offer a pathway to high performance electrodes. Metal foams hold two key advantages: (i) their porous nature facilitates extended tunable electrochemical interfaces without sacrificing transport of reactants and ions; and (ii) they can act as a conductive substrates for the direct deposition of active materials eliminating the need for conductive additives and binders [5]. Further, as many active metals can form foams, surface alloys and multi-metallics could be created through deposition and annealing. This talk will focus the development of Au/Cu and Ag/Cu core/shell catalysts via galvanic replacement reactions. First, we will discuss the synthesis, characterization, and performance evaluation of Cu nanoparticles / nanowires with a few Au or Ag monolayers. We will then describe the translation of these active materials to microporous Cu foam electrodes, subjected to various electrochemical pretreatments, which, in turn, will be evaluated in small-scale flow cells. Acknowledgements We gratefully acknowledge the financial support from the MIT Center for Materials Science and Engineering.

ChemInform Abstract: Phase Diagram of the Iridium—Rhenium System

AbstractReview: 35 refs.

Preface: Focus on Functional Oxides

AbstractOxide materials might form the basis for the next technological revolutions in fields such as electronics, photovoltaics or heterogeneous catalysis by enabling the production of inexpensive, high capacity and fast nonvolatile memories, neuromorphic computers and control systems, and efficient energy conversion devices. All these possible applications have in common that they promise to expand the limits of existing technologies by exploiting the inherent material‐level complexity of oxides. However, the enhanced opportunities of this added complexity come at the price of significantly greater difficulties in understanding the materials' properties and their implications. Among many, the peculiar and variable mixture of ionic and covalent bonding behavior and the relative ease of changing the oxygen content of many compounds lead to fascinating effects. Furthermore, a deep level of understanding of the materials properties and their relation to synthesis is crucial for eventual applications. In recent years, an enormous amount of work has been devoted to the development of new experimental and theoretical tools, which have enabled much improved understanding of oxide behavior. Materials science is now becoming able to predict and engineer the behavior of oxide materials and explore brave new worlds of functionality.The recent advances in functional oxide science and technology prompted us to hold the CECAM workshop on “Functional Oxides for Emerging Technologies” at the Bremen Center for Computational Materials Science in October 2013, and it was during the preparation for this workshop that the Focus Issue on functional oxides was conceived.The three Review@RRL articles introduce the reader to innovative, low energy electron microscopy [1], controllable electric conduction at oxide interfaces [2], and ionic switching based RRAM [3]. The 20 original Letters present exciting new research on the topics of transport properties [4], super‐reducible oxides [5], ferroelectricity [6], point defects [7], memory applications [8–10], bulk properties [11–14], interfaces [15–17], surfaces [18–20] and catalytic properties [21–23].We sincerely hope that you will find our collection of articles from the forefront of functional oxide research to be informative and that reading our Focus Issue inspires you to come up with more and even better ideas and insights. (© 2014 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)