Recovery of MOF-5 from Extreme High-Pressure Conditions Facilitated by a Modern Pressure Transmitting Medium

Baxter, Samuel J.; Burtch, Nicholas C.; Evans, Jack D.; Ready, Austin D.; Wilkinson, Angus P.; Schneemann, Andreas

doi:10.1021/acs.chemmater.1c03613

Recovery of MOF-5 from Extreme High-Pressure Conditions Facilitated by a Modern Pressure Transmitting Medium

Journal Article · Fri Jan 07 00:00:00 EST 2022 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c03613· OSTI ID:1845391

^[1]; Burtch, Nicholas C. ^[2]; ^[3]; ^[4]; ^[5]; ^[2]

Georgia Institute of Technology, Atlanta, GA (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Univ. of Adelaide, SA (Australia)
Sandia National Laboratories, 7011 East Avenue, Livermore, California 94550, United States
Georgia Institute of Technology, Atlanta, GA (United States)

Here mechanisms underlying the mechanically induced amorphization of metal-organic frameworks (MOFs) are of current interest, and both high-pressure experimentation and molecular dynamics simulations have been used to reveal the fundamentals of load bearing, deformation, and pressure-induced amorphization (PIA) in these highly porous materials. Unfortunately, MOFs are typically highly susceptibility to amorphization, which limits the conditions under which they can be processed and used. However, their flexible structures can be stabilized to high pressures by incorporating guest species into the framework matrix. In this study, a large molecule pressure transmitting medium (DAPHNE ₇₅₇₅) is used as a structure-fortifying guest species to stabilize the prototypical MOF_-5 to ultra-high pressures (_>9 GPa) and enable the recovery of crystalline material upon decompression. Structural changes associated with the penetration of the pressure transmitting medium on compression are examined using a combination of high pressure synchrotron powder diffraction and molecular dynamics simulations. This work enhances the understanding of PIA in MOFs while showcasing a potential route for the stabilization of MOFs to surprisingly high-pressures.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-CA), Livermore, CA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; NA0003525

OSTI ID:: 1845391

Alternate ID(s):: OSTI ID: 1844651
OSTI ID: 1847156

Report Number(s):: SAND2022-0849J; 703236

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 2 Vol. 34; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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