Rapid Identification of Synthetic Routes to Functional Metastable Phases Using X-ray Probed Laser Anneal Mapping (XPLAM) Time-Temperature Quench Maps
Abstract
Many material systems have known or predicted functional phases that are metastable at standard temperature and pressure. While substantial advances have been made in the high-throughput and combinatorial synthesis of materials with a range of stoichiometries, investigation of thermal processing remains largely the domain of iterative uniform anneals or static gradients. Here we develop X-ray probed laser anneal mapping (XPLAM), a high throughput technique coupling spatially resolved X-ray diffraction with microsecond to millisecond laser gradient anneals to produce temperature–dwell–transformation (TDT) diagrams of the phase as a function of quench time and temperature. In addition to showing regimes where specific metastable phases form preferentially, TDT diagrams provide insight into the submillisecond kinetics of solid–solid phase transitions. This is a unique tool for mapping reaction pathways for metastable phases. As a first demonstration of XPLAM, we study Bi2O3, which has a rich set of polytypes, including the d-phase with an exceptionally high oxygen ion conductivity. We demonstrate the first annealing-driven synthesis of room temperature d-Bi2O3. We expect XPLAM to prove a powerful technique for rapid identification of synthetic routes to metastable phases and to generate the exhaustive data sets required for machine learning-guided exploration of materials processing.
- Authors:
-
[1];
[4];
- Cornell Univ., Ithaca, NY (United States); National Renewable Energy Lab. (NREL), Golden, CO (United States)
- National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Cornell Univ., Ithaca, NY (United States)
- Cornell Univ., Ithaca, NY (United States)
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Publication Date:
- Research Org.:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1808493
- Report Number(s):
- NREL/JA-5K00-78639
Journal ID: ISSN; 0897-4756; MainId:32556;UUID:527e3aa2-0f09-4cc6-bee4-fc6dfb61b177;MainAdminID:25795
- Grant/Contract Number:
- AC36-08GO28308
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 33; Journal Issue: 12
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; Bi2O3; laser annealing; metastable oxide; thermal processing
Citation Formats
Bell, Robert T., Beaucage, Peter A, Murphy, Marc J., Connolly, Aine B., Wiesner, Ulrich, Ginley, David, van Dover, R. Bruce, and Thompson, Michael O. Rapid Identification of Synthetic Routes to Functional Metastable Phases Using X-ray Probed Laser Anneal Mapping (XPLAM) Time-Temperature Quench Maps. United States: N. p., 2021.
Web. doi:10.1021/acs.chemmater.0c04926.
Bell, Robert T., Beaucage, Peter A, Murphy, Marc J., Connolly, Aine B., Wiesner, Ulrich, Ginley, David, van Dover, R. Bruce, & Thompson, Michael O. Rapid Identification of Synthetic Routes to Functional Metastable Phases Using X-ray Probed Laser Anneal Mapping (XPLAM) Time-Temperature Quench Maps. United States. https://doi.org/10.1021/acs.chemmater.0c04926
Bell, Robert T., Beaucage, Peter A, Murphy, Marc J., Connolly, Aine B., Wiesner, Ulrich, Ginley, David, van Dover, R. Bruce, and Thompson, Michael O. Sun .
"Rapid Identification of Synthetic Routes to Functional Metastable Phases Using X-ray Probed Laser Anneal Mapping (XPLAM) Time-Temperature Quench Maps". United States. https://doi.org/10.1021/acs.chemmater.0c04926. https://www.osti.gov/servlets/purl/1808493.
@article{osti_1808493,
title = {Rapid Identification of Synthetic Routes to Functional Metastable Phases Using X-ray Probed Laser Anneal Mapping (XPLAM) Time-Temperature Quench Maps},
author = {Bell, Robert T. and Beaucage, Peter A and Murphy, Marc J. and Connolly, Aine B. and Wiesner, Ulrich and Ginley, David and van Dover, R. Bruce and Thompson, Michael O.},
abstractNote = {Many material systems have known or predicted functional phases that are metastable at standard temperature and pressure. While substantial advances have been made in the high-throughput and combinatorial synthesis of materials with a range of stoichiometries, investigation of thermal processing remains largely the domain of iterative uniform anneals or static gradients. Here we develop X-ray probed laser anneal mapping (XPLAM), a high throughput technique coupling spatially resolved X-ray diffraction with microsecond to millisecond laser gradient anneals to produce temperature–dwell–transformation (TDT) diagrams of the phase as a function of quench time and temperature. In addition to showing regimes where specific metastable phases form preferentially, TDT diagrams provide insight into the submillisecond kinetics of solid–solid phase transitions. This is a unique tool for mapping reaction pathways for metastable phases. As a first demonstration of XPLAM, we study Bi2O3, which has a rich set of polytypes, including the d-phase with an exceptionally high oxygen ion conductivity. We demonstrate the first annealing-driven synthesis of room temperature d-Bi2O3. We expect XPLAM to prove a powerful technique for rapid identification of synthetic routes to metastable phases and to generate the exhaustive data sets required for machine learning-guided exploration of materials processing.},
doi = {10.1021/acs.chemmater.0c04926},
journal = {Chemistry of Materials},
number = 12,
volume = 33,
place = {United States},
year = {Sun Jun 06 00:00:00 EDT 2021},
month = {Sun Jun 06 00:00:00 EDT 2021}
}
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