Cooperative Agreement DEEE0009411

This Project Grant award from the National Science Foundation (CFDA 47.049 - Mathematical and Physical Sciences) provides $643,347.00 to the University of Alabama-Tuscaloosa to develop computational tools that empower the design of efficient molecular catalysts. The key products and services to be delivered under this 5-year award include: Using high-performance computational screening to identify optimal catalyst structures, compositions, and kinetics to increase activity, selectivity, and...

This National Science Foundation (NSF) grant under the Engineering (CFDA 47.041) program provides $625,184 to Virginia Polytechnic Institute & State University (Virginia Tech) to develop a design methodology for supported single-atom catalysts (SACs) - an emerging class of catalysts with exciting properties that can revolutionize industrial applications. The project embraces an integrated computational-experimental approach using machine learning to understand how the properties of the metal...

This three-year Project Grant from the National Science Foundation's Division of Chemical, Bioengineering, Environmental, and Transport Systems, under the Engineering program (CFDA 47.041), provides $273,000 to Purdue University to develop porous bi-layer catalysts for converting carbon dioxide into valuable C2+ products like ethylene at industrially relevant rates. A collaborative team from Purdue University and University of Wisconsin-La Crosse will engineer novel layered catalyst structures...

Polykala Technologies, LLC received a $206,500 Project Grant award from the Department of Energy Office of Science on June 27, 2022 to support development of "NANOCATALYSTS AND SINGLE-ATOM CATALYSTS DEVELOPMENT AND MANUFACTURING ASSISTED BY INEXPENSIVE CUSTOM DESIGNED LOW-TEMPERATURE PLASMA." The work will be performed in San Antonio, TX through June 26, 2023. The award is funded through the Office of Science Financial Assistance Program (CFDA #81.049), which supports basic research to...

This EAGER award from the National Science Foundation's (NSF) Engineering program (CFDA 47.041) provides $300,000 to Washington State University (WSU) to investigate a novel catalyst design aimed at reducing pollutants from gasoline- and diesel-fueled vehicles. The project will focus on quantifying the fluxionality of surface oxide supports through the integration of global optimization algorithms and multi-scale models for single-site catalysts. Key goals include reducing the amount of...

This three-year Project Grant from the National Science Foundation's Division of Chemistry, totaling $272,511, will fund collaborative research between Oklahoma State University and the University of Oklahoma on tailoring the distribution of transient versus dynamic active sites in solid-acid catalysts and their impacts on chemical conversions. The researchers, led by Drs. Jeffrey White, Steven Crossley, Daniel Resasco and Bin Wang, will work to identify new zeolite catalyst materials that can...

This Project Grant from the National Science Foundation Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), provides $400,000 to Arizona State University to develop heteratom dimer and cluster catalysts for chemical transformations from June 1, 2023 to May 31, 2026. Professor Jingyue Liu will research precision-designed dual atom catalysts containing pairs of different metal atoms, such as palladium-tin and platinum-copper, localized on isolated metal oxide...

This $614,548 National Science Foundation project grant supports research to develop a precise synthetic method for fabricating alloy-based electrocatalysts with controlled surface compositions and facets. Funded under the NSF Engineering program (CFDA 47.041), the three-year award running from November 1, 2022 to October 31, 2025 will enable researchers at Georgia Tech to apply first-principles calculations and data science to identify optimal alloy compositions for electrocatalytic hydrogen...

This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) provides $301,280 to Purdue University and Louisiana State University to develop a new computational model for studying the effects of adsorbed species on catalyst surfaces during chemical reactions. The researchers are creating an "implicit" model that can more efficiently capture the impact of these adlayers on catalyst reactivity, selectivity, and...

This three-year, $480,000 Project Grant from the National Science Foundation's Division of Chemistry and Mathematical and Physical Sciences program will support the development of sustainable catalysts and dehydrocoupling chemistry at Arizona State University. Principal Investigator Ryan J. Trovitch will study trends in earth-abundant metal catalysts to synthesize value-added chemicals and polymers more efficiently. Initial work will target precursors for semiconductor manufacturing. The project...