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Title: Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks.

Abstract

Negative thermal expansion materials are of interest for an array of composite material applications whereby they can compensate for the behavior of a positive thermal expansion matrix. In this work, various design strategies for systematically tuning the coefficient of thermal expansion in a diverse series of metal–organic frameworks (MOFs) are demonstrated. By independently varying the metal, ligand, topology, and guest environment of representative MOFs, a range of negative and positive thermal expansion behaviors are experimentally achieved. Insights into the origin of these behaviors are obtained through an analysis of synchrotron–radiation total scattering and diffraction experiments, as well as complementary molecular simulations. As a result, the implications of these findings on the prospects for MOFs as an emergent negative thermal expansion material class are also discussed.

Authors:
 [1];  [2];  [3];  [1];  [1];  [3];  [2]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Georgia Inst. of Technology, Atlanta, GA (United States)
  3. Univ. of Amsterdam, Amsterdam (The Netherlands)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1570249
Alternate Identifier(s):
OSTI ID: 1562723
Report Number(s):
SAND-2019-10809J
Journal ID: ISSN 1616-301X; 679347
Grant/Contract Number:  
AC04-94AL85000; NA0003525; AC02‐06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Name: Advanced Functional Materials; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
metal–organic frameworks; negative thermal expansion; structural design strategies

Citation Formats

Burtch, Nicholas C., Baxter, Samuel J., Heinen, Jurn, Bird, Ashley, Schneemann, Andreas, Dubbeldam, David, and Wilkinson, Angus. Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks.. United States: N. p., 2019. Web. doi:10.1002/adfm.201904669.
Burtch, Nicholas C., Baxter, Samuel J., Heinen, Jurn, Bird, Ashley, Schneemann, Andreas, Dubbeldam, David, & Wilkinson, Angus. Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks.. United States. doi:10.1002/adfm.201904669.
Burtch, Nicholas C., Baxter, Samuel J., Heinen, Jurn, Bird, Ashley, Schneemann, Andreas, Dubbeldam, David, and Wilkinson, Angus. Wed . "Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks.". United States. doi:10.1002/adfm.201904669.
@article{osti_1570249,
title = {Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks.},
author = {Burtch, Nicholas C. and Baxter, Samuel J. and Heinen, Jurn and Bird, Ashley and Schneemann, Andreas and Dubbeldam, David and Wilkinson, Angus},
abstractNote = {Negative thermal expansion materials are of interest for an array of composite material applications whereby they can compensate for the behavior of a positive thermal expansion matrix. In this work, various design strategies for systematically tuning the coefficient of thermal expansion in a diverse series of metal–organic frameworks (MOFs) are demonstrated. By independently varying the metal, ligand, topology, and guest environment of representative MOFs, a range of negative and positive thermal expansion behaviors are experimentally achieved. Insights into the origin of these behaviors are obtained through an analysis of synchrotron–radiation total scattering and diffraction experiments, as well as complementary molecular simulations. As a result, the implications of these findings on the prospects for MOFs as an emergent negative thermal expansion material class are also discussed.},
doi = {10.1002/adfm.201904669},
journal = {Advanced Functional Materials},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}

Journal Article:
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