Public Abstract

DE-SC0019212: GENESIS: A Next Generation Synthesis Center

Award Status: Active

Institution: Research Foundation for the State University of New York d/b/a RFSUNY - Stony Brook University, Stony Brook, NY
UEI: M746VC6XMNH9
DUNS: 804878247

Most Recent Award Date: 06/07/2024
Number of Support Periods: 5
PM: Brown, Katherine

Current Budget Period: 08/01/2022 - 07/31/2025
Current Project Period: 08/01/2022 - 07/31/2025
PI: Parise, John

Supplement Budget Period: N/A

Public Abstract

GENESIS: A Next-Generation Synthesis Center J.B. Parise, Stony Brook University (Principal Investigator) K.W. Chapman, Stony Brook University (Co-Investigator) P. Khalifah, Stony Brook University (Co-Investigator) P.J. Chupas, Stony Brook University (Co-Investigator) K. Chen-Wiegart, Stony Brook University (Co-Investigator) K. Thornton, University of Michigan (Co-Investigator) S. Billinge, Columbia University (Co-Investigator) J. Neilson, Colorado State University (Co-Investigator) P. Liu, University of California - San Diego (Co-Investigator) K. Persson, Lawrence Berkeley National Laboratory (Co-Investigator) G. Veith, Oak Ridge National Laboratory (Co-Investigator) Project Objectives: The GENESIS Center develops a new paradigm for synthesis that accelerates the discovery of functional materials by integrating advanced in situ diagnostics and data science tools to interrogate, understand, predict and control the pathways that govern synthesis. Project Description: GENESIS addresses the bottleneck created by conventional intuition-guided synthesis - an inefficient, rate-limiting process - by pioneering a science-based approach to synthesis that will transform how we search for new functional materials. We will resolve synthesis pathways experimentally to interrogate how the composition, structure, and heterogeneity of multi-component reactive system evolve following a free-energy pathway. Developments of in situ diagnostics for synthesis will be leveraged to build a fundamental understanding of the interplay between synthesis conditions, reaction pathways, and material products over Å-to-mm length scales. Potential Impact of the Project: The primary impact of GENESIS will be an improved understanding of synthesis reaction mechanisms, especially in the areas that bridge and combine energy deposition and diffusion across length scales. Specifically, we will produce a framework for understanding how to effectively stabilize materials in states that are far from their global thermodynamic minimum—a relatively unexplored and poorly understood frontier of materials research – by utilizing theory and modeling in combination with diffraction and spectroscopy tools sensitive to atomic scale processes, and x-ray imaging tools to experimentally capture interfacial and particle-wide phenomena. The de novo prediction of synthesis routes will facilitate the realization of new materials identified within other DOE research programs, such as the EFRCs, that identify hypothetical materials through computational materials discovery, or materials that implement new design rules for higher capacity batteries and more selective catalysts. The tools that have been designed and developed for science-based synthesis, will be deployed, for example at DOE user facilities, so a broader community can control the synthesis of families of materials beyond those of specific interest to GENESIS.

GENESIS: A Next-Generation Synthesis Center

J.B. Parise, Stony Brook University (Principal Investigator)

K.W. Chapman, Stony Brook University (Co-Investigator)

P. Khalifah, Stony Brook University (Co-Investigator)

P.J. Chupas, Stony Brook University (Co-Investigator)

K. Chen-Wiegart, Stony Brook University (Co-Investigator)

K. Thornton, University of Michigan (Co-Investigator)

S. Billinge, Columbia University (Co-Investigator)

J. Neilson, Colorado State University (Co-Investigator)

P. Liu, University of California - San Diego (Co-Investigator)

K. Persson, Lawrence Berkeley National Laboratory (Co-Investigator)

G. Veith, Oak Ridge National Laboratory (Co-Investigator)

Project Objectives: The GENESIS Center develops a new paradigm for synthesis that accelerates the discovery of functional materials by integrating advanced in situ diagnostics and data science tools to interrogate, understand, predict and control the pathways that govern synthesis.

Project Description: GENESIS addresses the bottleneck created by conventional intuition-guided synthesis - an inefficient, rate-limiting process - by pioneering a science-based approach to synthesis that will transform how we search for new functional materials. We will resolve synthesis pathways experimentally to interrogate how the composition, structure, and heterogeneity of multi-component reactive system evolve following a free-energy pathway. Developments of in situ diagnostics for synthesis will be leveraged to build a fundamental understanding of the interplay between synthesis conditions, reaction pathways, and material products over Å-to-mm length scales.

Potential Impact of the Project: The primary impact of GENESIS will be an improved understanding of synthesis reaction mechanisms, especially in the areas that bridge and combine energy deposition and diffusion across length scales. Specifically, we will produce a framework for understanding how to effectively stabilize materials in states that are far from their global thermodynamic minimum—a relatively unexplored and poorly understood frontier of materials research – by utilizing theory and modeling in combination with diffraction and spectroscopy tools sensitive to atomic scale processes, and x-ray imaging tools to experimentally capture interfacial and particle-wide phenomena.

The de novo prediction of synthesis routes will facilitate the realization of new materials identified within other DOE research programs, such as the EFRCs, that identify hypothetical materials through computational materials discovery, or materials that implement new design rules for higher capacity batteries and more selective catalysts. The tools that have been designed and developed for science-based synthesis, will be deployed, for example at DOE user facilities, so a broader community can control the synthesis of families of materials beyond those of specific interest to GENESIS.