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Gregoire, John

Publications and source records attributed to Gregoire, John.

The sensitivity of Cu for electrochemical carbon dioxide reduction to hydrocarbons as revealed by high throughput experiments

Electrochemical CO 2 reduction to valuable products is a centerpiece of future energy technologies that relies on identification of new catalysts. Here, we present accelerated screening of Cu bimetallic alloys, revealing remarkable sensitivity to alloy concentration that indicates the migration of alloying elements to critical sites for hydrocarbon formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The 2019 materials by design roadmap

Advances in renewable and sustainable energy technologies critically depend on our ability to design and realize materials with optimal properties. Materials discovery and design efforts ideally involve close coupling between materials prediction, synthesis and characterization. Increased use of computational tools, the generation of materials databases, and advances in experimental methods have substantially accelerated these activities. It is therefore an opportune time to consider future prospects for materials by design approaches. The purpose of this roadmap is to present an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed. Perspectives cover topics on computational techniques, validation, materials databases, materials informatics, high-throughput combinatorial methods, advanced characterization approaches, and materials design issues in thermoelectrics, photovoltaics, solid state lighting, catalysts, batteries, metal alloys, complex oxides and transparent conducting materials. It is our hope that this roadmap will guide researchers and funding agencies in identifying new prospects for materials design.

36 MATERIALS SCIENCE↗

Scanning drop sensor

Electrochemical experiments are performed on a collection of samples by suspending a drop of electrolyte solution between an electrochemical experiment probe and one of the samples that serves as a test sample. During the electrochemical experiment, the electrolyte solution is added to the drop and an output solution is removed from the drop. The probe and collection of samples can be moved relative to one another so the probe can be scanned across the samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Basic Research Needs for Catalysis Science to Transform Energy Technologies: Report from the U.S. Department of Energy, Office of Basic Energy Sciences Workshop May 8–10, 2017, in Gaithersburg, Maryland

Energy technologies affect virtually every aspect of life in modern societies—including transportation, utilities, agriculture, medicine, and the availability of a myriad of consumer products—and depend on human ability to accelerate and to guide chemical transformations. Controlling these transformations, which occur in the microscopic world of atoms and molecules, forms the basis of countless technologies such as production of fuels, fertilizers, plastics, pharmaceuticals and much more. At the very core of these chemical transformations are catalysts—specialized and often highly complex types of matter that allow chemical reactions to occur rapidly and produce specific products. Catalysts also have the remarkable ability to perform their tasks millions of times without themselves being consumed. The discovery of inexpensive and widely-deployable energy and chemical technologies, and their underpinning catalysis science, is critical to ensure the economic viability of U.S. energy and chemical industries. Over the past decade, remarkable new tools have been discovered that allow the observation of catalytic transformations in exquisite detail, and assembly of novel and elaborate catalytic architectures with atomic precision. Furthermore, increasingly sophisticated theoretical and computational tools allow understanding of the essential details of the catalytic processes, and this overall progress has led to the discovery of catalysts with superior performance and the associated economic benefit. In the next decade and beyond, science promises to revolutionize how catalysts and catalytic processes are designed, to enable the introduction of new energy resources, to provide routes to sustainable synthesis of chemicals and other valuable materials, and to create novel approaches to chemical energy storage. This report is the result of the Basic Energy Sciences Workshop on Basic Research Needs for Catalysis Science to Transform Energy Technologies that was held in May 2017, and was attended by more than 100 leading national and international scientific experts. The attendees were organized into four panels: 1. Diversified Energy Feedstocks and Carriers, 2. Novel Approaches to Energy Transformations, 3. Advanced Chemical Conversion Approaches, and 4. Crosscutting Capabilities and Challenges: Synthesis, Theory, and Characterization. The workshop identified five priority research directions (PRDs) that are aimed at harnessing complexity in catalysis to create next-generation energy technologies and realizing efficient catalytic processes to increase the diversity of resources for production of chemicals and energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗