Catalysis Science
This program accepts and reviews proposals continuously under the annual Funding Opportunity Announcement (FOA) entitled, “Continuation of Solicitation for the Office of Science Financial Assistance Program” available on the Open FOA page. However, only the proposals received by December 16, 2024, will be guaranteed consideration for funding within fiscal year 2025. Preproposals or white papers are strongly encouraged for all new proposals and should be submitted well in advance. Please contact the program managers prior to submission.
This research area supports basic research pursuing novel catalyst design and molecular-level control of chemical transformations relevant to the sustainable conversion of energy resources. Emphasis is on the understanding of reaction mechanisms, enabling precise identification and manipulation of catalytic active sites, their environments, and reaction conditions for optimized efficiency and selectivity. Elucidation of reaction mechanisms in diverse chemical environments and the structure-reactivity relationships of solid and molecular catalysts comprise the central component of the program with specific focus areas involving: (1) advanced concepts related to catalyst design, including topics related with multi-functionality, confinement within porous materials, site cooperativity, nano- and single-atom stabilized structures, and manipulation of weak-interactions; (2) substitution or coupling thermal energy source with less-energy intensive ones, such as electrical, mechanochemical, or electromagnetic sources leading to sustainable chemical processes, such as low-temperature electrosynthesis, integrated separation-catalytic processes, or carbon-neutral transformations; (3) examination of the dynamics of catalyst and electronic structures occurring during catalytic cycles and deactivation via the development of novel spectroscopic techniques and structural probes for in situ/operando characterization of catalytic processes. This also include strategies to induce changes in catalytic structure and activity via response to stimuli; (4) investigation of emerging approaches to direct catalytic transformations in multicomponent mixtures, multiple reactions, and integrated processes, such as cascade and tandem processes; and (5) integrated theory-experiment and predictive theoretical catalysis supported by data-intensive and AI/Machine Learning approaches leading to mechanism identification, catalyst discovery and development, and benchmarking of catalytic properties.
A long-term objective is to promote the convergence of heterogeneous, homogeneous, and bio- catalysis as a means to discover novel inorganic, organic, and hybrid catalysts selective for fuel and chemical production from a variety of feedstocks with emphasis on renewable ones. Another enduring goal is to maximize the atom and energy efficiency of chemical transformations. This activity is especially receptive to novel and emerging approaches in the area of clean energy and catalysis science underpinning sustainable chemical transformations that achieve low greenhouse gas emissions, such as carbon-neutral hydrogen production and utilization, deconstruction or functionalization of macromolecules, catalysis by Earth-abundant metals, and electro-driven processes. This research area does not support: (1) the study of transformations appropriate for pharmaceutical applications; (2) non-catalytic stoichiometric reactions; (3) whole cell or organismal catalysis; (4) process or reactor design and optimization; or (5) device development or optimization.
To obtain more information about this research area, please see the proceedings of our Principal Investigators' Meetings. To better understand how this research area fits within the Department of Energy's Office of Science, please refer to the Basic Energy Science's organization chart and budget request.
Other questions about this research area should be addressed to the Program Managers, Dr. Viviane Schwartz and Dr. Chris Bradley.
