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Award Abstract # 2307231
Unlocking the Potential of Zintl Compounds for Thermoelectrics

NSF Org: DMR
Division Of Materials Research
Recipient: UNIVERSITY OF CALIFORNIA, DAVIS
Initial Amendment Date: April 27, 2023
Latest Amendment Date: June 5, 2024
Award Number: 2307231
Award Instrument: Standard Grant
Program Manager: Birgit Schwenzer
bschwenz@nsf.gov
 (703)292-4771
DMR
 Division Of Materials Research
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: July 1, 2023
End Date: June 30, 2026 (Estimated)
Total Intended Award Amount: $501,168.00
Total Awarded Amount to Date: $670,871.00
Funds Obligated to Date: FY 2023 = $577,318.00
FY 2024 = $93,553.00
History of Investigator:
  • Susan Kauzlarich (Principal Investigator)
    smkauzlarich@ucdavis.edu
Recipient Sponsored Research Office: University of California-Davis
1850 RESEARCH PARK DR STE 300
DAVIS
CA  US  95618-6153
(530)754-7700
Sponsor Congressional District: 04
Primary Place of Performance: University of California-Davis
1850 RESEARCH PARK DR, STE 300
DAVIS
CA  US  95618-6153
Primary Place of Performance
Congressional District:
04
Unique Entity Identifier (UEI): TX2DAGQPENZ5
Parent UEI:
NSF Program(s): OFFICE OF MULTIDISCIPLINARY AC,
DMR SHORT TERM SUPPORT,
SOLID STATE & MATERIALS CHEMIS
Primary Program Source: 01002324DB NSF RESEARCH & RELATED ACTIVIT
01002425DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1515, 7237, 8396, 8611, 8614
Program Element Code(s): 125300, 171200, 176200
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

PART 1: NON-TECHNICAL SUMMARY

With support from the Solid State and Materials Chemistry program in NSF?s Division of Materials Research, the principal investigator and her research group at the University of California Davis synthesize and characterize new Zintl compounds. Zintl phases are compounds composed of metallic elements but have the properties of a semiconductor. This type of material has potentially excellent thermoelectric properties. Less expensive thermoelectric materials could alter the world?s energy landscape by converting waste heat into usable electricity and reducing our dependence on fossil fuels. The energy conversion efficiency of a material requires low electrical resistivity like a metal and low thermal conductivity as in an insulator. The unique combination of composition and structure of Zintl phases can give rise to exceptional thermoelectric properties that can be further optimized by systematic substitution of individual elements. This project develops new structures and optimizes properties toward high efficiency thermoelectric materials. A new course for graduate students focused on resiliency, mental health and well-being is developed and assessed during the time of this award. This project also trains young scientists in structure determination and property measurements along with thermoelectric design and optimization. Graduate and undergraduate students? scientific and social skills are developed through workshops, symposiums, and individualized mentoring.


PART 2: TECHNICAL SUMMARY

Efficient thermoelectric materials are required to impact energy conversion technologies. This project, with support from the Solid State and Materials Chemistry program in NSF?s Division of Materials Research, provides new Zintl phase compounds via flux and direct synthesis and characterizes their properties with a goal of discovering new thermoelectric materials. Compounds with promising properties are then further optimized for their thermoelectric efficiency and provide new directions of research for the scientific community. Goals include the the synthesis of new compounds that have not yet been investigated and, e.g. morphological optimization of Zintl phases. Two-dimensional (layered) and one-dimensional (chain) containing phases are synthesized and their properties characterized. The properties of these new phases will be enhanced with alio- and iso-valent substitution towards better thermoelectric behavior. Graduate and undergraduate students learn a suite of physical characterization techniques and how to correlate structure and phase composition with electronic and thermal transport properties. In collaboration with the UC Davis graduate division, a mental wellness and scientific resiliency course is taught and assessed during the timeframe of this award. Graduate and undergraduate students can develop their scientific and social skills through workshops, symposiums, and mentorship. The research will be disseminated at national meetings and findings published in peer-reviewed journals.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Hauble, Ashlee K. and Kimberly, Tanner Q. and Ciesielski, Kamil M. and Mrachek, Nicholas and Wright, Maxwell G. and Taufour, Valentin and Yu, Ping and Toberer, Eric S. and Kauzlarich, Susan M. "-Phase Yb <sub>5</sub> Sb <sub>3</sub> H <sub><i>x</i></sub> : Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor" Inorganic Chemistry , v.63 , 2024 https://doi.org/10.1021/acs.inorgchem.4c00254 Citation Details
Islam, Md. Minhajul and Kauzlarich, Susan M. "The Potential of Arsenicbased Zintl Phases as Thermoelectric Materials: Structure & Thermoelectric Properties" Zeitschrift für anorganische und allgemeine Chemie , v.649 , 2023 https://doi.org/10.1002/zaac.202300149 Citation Details
Kauzlarich, Susan M. "Zintl Phases: From Curiosities to Impactful Materials" Chemistry of Materials , v.35 , 2023 https://doi.org/10.1021/acs.chemmater.3c01874 Citation Details

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