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Title: Hyperconnected molecular glass network architectures with exceptional elastic properties

Abstract

Hyperconnected network architectures can endow nanomaterials with remarkable mechanical properties that are fundamentally controlled by designing connectivity into the intrinsic molecular structure. For hybrid organic–inorganic nanomaterials, here we show that by using 1,3,5 silyl benzene precursors, the connectivity of a silicon atom within the network extends beyond its chemical coordination number, resulting in a hyperconnected network with exceptional elastic stiffness, higher than that of fully dense silica. The exceptional intrinsic stiffness of these hyperconnected glass networks is demonstrated with molecular dynamics models and these model predictions are calibrated through the synthesis and characterization of an intrinsically porous hybrid glass processed from 1,3,5(triethoxysilyl) benzene. Altogether, the proposed molecular design strategy applies to any materials system wherein the mechanical properties are controlled by the underlying network connectivity.

Authors:
 [1];  [1];  [2];  [2];  [2];  [3];  [1]
  1. Stanford Univ., Stanford, CA (United States)
  2. IBM Almaden Research Center, San Jose, CA (United States)
  3. Stanford Univ., Stanford, CA (United States); IBM Almaden Research Center, San Jose, CA (United States)
Publication Date:
Research Org.:
Stanford Univ., CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1499684
Grant/Contract Number:  
FG02-07ER46391
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Burg, Joseph A., Oliver, Mark S., Frot, Theo J., Sherwood, Mark, Lee, Victor, Dubois, Geraud, and Dauskardt, Reinhold H. Hyperconnected molecular glass network architectures with exceptional elastic properties. United States: N. p., 2017. Web. doi:10.1038/s41467-017-01305-w.
Burg, Joseph A., Oliver, Mark S., Frot, Theo J., Sherwood, Mark, Lee, Victor, Dubois, Geraud, & Dauskardt, Reinhold H. Hyperconnected molecular glass network architectures with exceptional elastic properties. United States. doi:10.1038/s41467-017-01305-w.
Burg, Joseph A., Oliver, Mark S., Frot, Theo J., Sherwood, Mark, Lee, Victor, Dubois, Geraud, and Dauskardt, Reinhold H. Wed . "Hyperconnected molecular glass network architectures with exceptional elastic properties". United States. doi:10.1038/s41467-017-01305-w. https://www.osti.gov/servlets/purl/1499684.
@article{osti_1499684,
title = {Hyperconnected molecular glass network architectures with exceptional elastic properties},
author = {Burg, Joseph A. and Oliver, Mark S. and Frot, Theo J. and Sherwood, Mark and Lee, Victor and Dubois, Geraud and Dauskardt, Reinhold H.},
abstractNote = {Hyperconnected network architectures can endow nanomaterials with remarkable mechanical properties that are fundamentally controlled by designing connectivity into the intrinsic molecular structure. For hybrid organic–inorganic nanomaterials, here we show that by using 1,3,5 silyl benzene precursors, the connectivity of a silicon atom within the network extends beyond its chemical coordination number, resulting in a hyperconnected network with exceptional elastic stiffness, higher than that of fully dense silica. The exceptional intrinsic stiffness of these hyperconnected glass networks is demonstrated with molecular dynamics models and these model predictions are calibrated through the synthesis and characterization of an intrinsically porous hybrid glass processed from 1,3,5(triethoxysilyl) benzene. Altogether, the proposed molecular design strategy applies to any materials system wherein the mechanical properties are controlled by the underlying network connectivity.},
doi = {10.1038/s41467-017-01305-w},
journal = {Nature Communications},
number = 1,
volume = 8,
place = {United States},
year = {2017},
month = {10}
}

Journal Article:
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Cited by: 9 works
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Figures / Tables:

Fig. 1 Fig. 1 : Molecular dynamics simulations predict that hyperconnected glasses have exceptional elastic stiffness. Fully condensed silicon atoms (the condensation degree is q = 1.0) have network connectives of $m$$Si$ = 4 and $m$$Si$ = 5 for (a) ethylene-bridged glasses and (b) 1,3,5-benzene glasses, respectively. c The predicted bulk modulus,more » K, as a function of the predicted mass density, ρ, for model organosilicate glasses with various organic bridges: ethylene, methylene, 1,4-benzene, 1,3-benzene, and 1,3,5-benzene. The 1,3,5-benzene hyperconnected glasses have a higher stiffness but significantly less density than the experimental value for amorphous SiO2 (plotted as the open square)41–43. The simulated value for α-SiO2 shows good agreement with experiment. The error bars denote one standard deviation of the mean of three trials per condition« less

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      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.