| NSF Org: |
CHE Division Of Chemistry |
| Recipient: |
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| Initial Amendment Date: | July 31, 2018 |
| Latest Amendment Date: | November 14, 2019 |
| Award Number: | 1832471 |
| Award Instrument: | Standard Grant |
| Program Manager: |
Katharine Covert
kcovert@nsf.gov (703)292-4950 CHE Division Of Chemistry MPS Direct For Mathematical & Physical Scien |
| Start Date: | September 1, 2018 |
| End Date: | February 28, 2023 (Estimated) |
| Total Intended Award Amount: | $1,800,000.00 |
| Total Awarded Amount to Date: | $1,800,000.00 |
| Funds Obligated to Date: |
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| History of Investigator: |
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| Recipient Sponsored Research Office: |
201 OLD MAIN UNIVERSITY PARK PA US 16802-1503 (814)865-1372 |
| Sponsor Congressional District: |
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| Primary Place of Performance: |
University Park PA US 16802-7000 |
| Primary Place of Performance Congressional District: |
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| Unique Entity Identifier (UEI): |
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| Parent UEI: |
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| NSF Program(s): | Phase I Ctrs for Chem Innovati |
| Primary Program Source: |
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| Program Reference Code(s): |
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| Program Element Code(s): |
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| Award Agency Code: | 4900 |
| Fund Agency Code: | 4900 |
| Assistance Listing Number(s): | 47.049 |
ABSTRACT
The NSF Center for Nanothread Chemistry pioneers a new form of carbon molecule, formed when arrays of small molecules transform under pressure into arrays of long thread-like molecules in a diamond-like geometry. These remarkable reactions totally reorganize every atom within the starting molecules to produce highly ordered parallel arrays of nanothreads. The team of researchers in the Center for Nanothread Chemistry aims to produce whole new families of nanothreads with diverse chemical compositions, structures, and properties. These materials can currently be made only in very small amounts, and a key goal of the Center is to learn how make larger quantities that will enable further fundamental science and technology impacts. This "flexible diamond" material may be broadly useful in application areas such as high strength composites, energy storage, and catalysis. These new nanomaterials also provide a rich venue for public outreach and the training of a diverse next generation of emerging science professionals.
The NSF Center for Nanothread Chemistry defines the chemistry generating a new class of organic molecules defined by pervasive covalent bond connectivity in multiple dimensions. Nanothreads, the first such example, are highly extended one-dimensional molecules with cage-like bonding, akin to the thinnest possible threads of diamond and capped by circumferential hydrogen. Nanothreads are synthesized by an innovative mechanochemical technique in which molecules with multiple unsaturated functions react under stress applied at carefully controlled rates. This strategy overcomes the traditional requirement for topochemical commensuration between the reactant and product and thus allows for many more molecular crystals to react into well-defined structures. The Center team is developing an actionable understanding of the reaction mechanism and enabling the design of new threads with desired arrangements of both interior heteroatoms and exterior functional groups. Post-synthesis modification allows for versatile incorporation of new groups of diverse function and also allows for additional structural elaboration. The unique architecture and properties of nanothreads provide opportunities for commercialization. The interplay of theory, synthesis and characterization provides rich training opportunities for diverse groups of students and researchers.
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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PROJECT OUTCOMES REPORT
Disclaimer
This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.
Nanothreads are extremely narrow threads of material with a carbon-containing backbone whose atoms are bonded to each other with a geometry similar to that in diamond. They are formed by a novel means of controlling chemical reactions: room-temperature compression to high pressures of undersaturated molecular crystals whose component molecules arrange into stacks along which the polymerization reaction occurs under pressure. Under support of this award, the research team has pioneered major advances in nanothread science, including the first definitive determination of the backbone bonding geometry of nanothreads, substantial reductions in the pressure at which thread-forming reactions occur, the first evidence of orientational order of nanothread packings, nanothreads from co-crystals, new theory-led means of understanding and controlling nanothread reaction kinetics from first-principles calculations, and evidence for crystalline multidimensional dense covalent carbon networks formed under pressure. A close interplay of theory and experiment characterized nearly all efforts, and new modeling methods were developed to extract insights from in situ and ex situ experimental data on thread structure and packing. Intriguing results have also been obtained on nanothread electronic structure and mechanical properties. Broader impacts of this work include establishing pathways to nanothread synthesis scaling that are enabling of application and the development of educational outreach materials on nanothreads for K-12 audiences. Overall, accomplishments under this award set the stage for multiple new avenues of investigation into commercial-scale synthesis, thread-based materials with extraordinary mechanical properties, and a blossoming of sequence and structural control of nanothread products through a marriage of the techniques of synthesis chemistry and solid-state synthesis.
Last Modified: 06/22/2023
Modified by: Vincent H Crespi
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