Award Abstract # 2221403
New Fluoride and Oxyfluoride Materials ? Targeting Magnetic and Optical Properties

NSF Org: DMR
Division Of Materials Research
Recipient: UNIVERSITY OF SOUTH CAROLINA
Initial Amendment Date: June 14, 2022
Latest Amendment Date: June 14, 2022
Award Number: 2221403
Award Instrument: Continuing Grant
Program Manager: John Schlueter
jschluet@nsf.gov
 (703)292-7766
DMR
 Division Of Materials Research
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: August 1, 2022
End Date: July 31, 2026 (Estimated)
Total Intended Award Amount: $710,000.00
Total Awarded Amount to Date: $536,046.00
Funds Obligated to Date: FY 2022 = $536,046.00
History of Investigator:
  • Hans-Conrad zur Loye (Principal Investigator)
    zurloye@mailbox.sc.edu
Recipient Sponsored Research Office: University of South Carolina at Columbia
1600 HAMPTON ST
COLUMBIA
SC  US  29208-3403
(803)777-7093
Sponsor Congressional District: 06
Primary Place of Performance: University of South Carolina
1600 Hampton Street
Columbia
SC  US  29208-0001
Primary Place of Performance
Congressional District:
06
Unique Entity Identifier (UEI): J22LNTMEDP73
Parent UEI: Q93ZDA59ZAR5
NSF Program(s): SOLID STATE & MATERIALS CHEMIS
Primary Program Source: 01002223DB NSF RESEARCH & RELATED ACTIVIT
01002526DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 9150
Program Element Code(s): 176200
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

Non-Technical

Materials containing different chemical elements exhibit a wide range of useful, everyday properties and are found in devices as basic as LED light bulbs. The properties, which include optical and magnetic behavior, are found especially in materials containing fluorine and are used for many applications that require the emission of light for them to function. Examples include coatings in LED light bulbs, radiation detectors for homeland security, and scanners for medical x-rays. For many optical applications it is necessary to obtain the materials in the form of single crystals. The research, supported by the Solid State and Materials Chemistry program in NSF?s Division of Materials Research, therefore, targets the crystal growth of new fluoride materials by developing new methods to grow such crystals and by optimizing the chemical compositions to obtain materials with the desired properties. The basic research focus is on the crystal growth of new fluorine-containing materials that are designed to exhibit specific properties, such as light emission, which can find widespread applications and can benefit the nation. As part of this research, numerous students are trained in the chemical sciences by involving a wide range of students, including those from underrepresented groups, in a materials chemistry research laboratory experience. Furthermore, a summer program for undergraduates allows the involvement of underrepresented minorities in research and teaches them about the chemistry of materials with the goal of recruiting them specifically into the University of South Carolina chemistry graduate program.


Technical Summary

The concept of materials discovery via crystal growth is applied to substantially increase the number of new fluoride and oxyfluoride material families to develop new functional materials. It is well known that complex fluoride materials are important for applications that rely on their optical properties, such as luminescence and scintillation, while the ability to obtain fluoride and oxyfluoride structures exhibiting magnetic frustration is of general interest for understanding spin-liquid and spin-ice behavior. The research project is centered around the development of new approaches to systematically synthesize and characterize new classes of fluoride and oxyfluoride materials and to study their optical and magnetic behavior. Specifically, the optimization of the crystal growth of new fluoride and oxyfluoride materials is carried out via three different synthetic routes (mild hydrothermal, supercritical hydrothermal, and flux crystal growth) to produce new magnetic and optical materials. Properties are controlled via the selection and incorporation of transition and lanthanide elements into the new fluoride and oxyfluoride structures, where those containing transition and lanthanide metals are used to study magnetic behavior and those containing lanthanides are used to study optical properties. As part of this research, numerous students are trained in the chemical sciences by involving a wide range of students, including those from underrepresented groups, in a materials chemistry research laboratory experience. Furthermore, a summer program for undergraduates allows the involvement of underrepresented minorities in research and teaches them about the chemistry of materials with the goal of recruiting them specifically into the University of South Carolina chemistry graduate program.

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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Keerthisinghe, Navindra and Ayer, Gyanendra B and Smith, Mark D and zur_Loye, Hans-Conrad "Comparative Study on Crystal Structures and Synthetic Techniques of Ternary Hafnium/Zirconium Fluorides" Inorganic Chemistry , v.62 , 2023 https://doi.org/10.1021/acs.inorgchem.3c01623 Citation Details
Masachchi, Lakshani W and Keerthisinghe, Navindra and Morrison, Gregory and Berseneva, Anna A and Smith, Mark D and zur_Loye, Hans-Conrad "Crystal Growth and Magnetism of Transition Metal Pyrochlore Fluorides" Inorganic Chemistry , v.62 , 2023 https://doi.org/10.1021/acs.inorgchem.3c01491 Citation Details
Morrison, Gregory and Masachchi, Lakshani W. and Tisdale, Hunter B. and Chang, Tieyan and Jones, Virginia G. and Zamorano, K. Pilar and Breton, Logan S. and Smith, Mark D. and Chen, Yu-Sheng and zur Loye, Hans-Conrad "Polymorphism in A <sub>3</sub> MF <sub>6</sub> (A = Rb, Cs; M = Al, Ga) grown using mixed halide fluxes" Dalton Transactions , v.52 , 2023 https://doi.org/10.1039/D3DT00352C Citation Details

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