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@article{exner2019thermodynamics,
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}

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@article{osti_1545774,
title = {Basic Research Needs for Catalysis Science},
author = {U. S. Department of Energy OSTI},
abstractNote = {Catalysis is the core of modern chemical conversions—the production processes for the vast majority of our fuels and chemicals use catalysts. Solid and molecular catalysts increase chemical transformation rates (reactivity) by lowering energy barriers for chemical reactions and can increase the yield of desired products (selectivity) by controlling the relative rates of competing reactions. High catalytic reactivity and selectivity reduce the required energy input, the number of process steps, and unwanted byproducts in the overall catalytic conversion. New catalysts will enable more efficient chemical transformations of raw materials and interconversion of the energy stored in chemical bonds with thermal and electrical energy. Advancing our understanding of and ability to control catalyzed reactions is essential to ensure the long-term economic viability of the energy and chemical industries. Over the past decade, advances in the characterization of working catalysts, theory and computation, and high-precision chemical and materials synthesis have enabled impressive progress in catalysis science. This progress has provided detailed insight into how reactions occur and has led to increased appreciation of the intrinsic complexity of catalytic processes. Understanding this complexity has further enabled advances in areas as diverse as high-temperature transformation of `hydrocarbons, low-temperature conversion of highly functionalized bio-derived compounds, highly selective synthesis of complex molecules, and improved electrochemical processes. By integrating the knowledge gained from studies of homogeneous, heterogeneous, and biological catalysts, we are beginning to understand and take advantage of the remarkably diverse capabilities of catalysts based on multifunctional molecular complexes, functionalized porous materials, and stabilized nanostructures and single atoms. A Basic Research Needs workshop held in May 2017 identified five Priority Research Directions that address complexity in catalysis science. This emerging and transformative approach will lead to catalysts with unprecedented reactivity and selectivity for use in critical energy and chemical technologies.},
doi = {10.2172/1545774},
url = {https://www.osti.gov/biblio/1545774}, journal = {},
number = 0,
volume = 0,
place = {United States},
year = {2017},
month = {5}
}

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@article{palizhati2019toward,
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@article{wahl2021machine,
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@article{li2019intermetallic,
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  year={2019},
  publisher={ACS Publications}
}


@article{chen2019kinetics,
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}