skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications

Abstract

We report that some of the most remarkable recent developments in metal–organic framework (MOF) performance properties can only be rationalized by the mechanical properties endowed by their hybrid inorganic–organic nanoporous structures. While these characteristics create intriguing application prospects, the same attributes also present challenges that will need to be overcome to enable the integration of MOFs with technologies where these promising traits can be exploited. In this review, emerging opportunities and challenges are identified for MOF-enabled device functionality and technological applications that arise from their fascinating mechanical properties. This is discussed not only in the context of their more well-studied gas storage and separation applications, but also for instances where MOFs serve as components of functional nanodevices. Recent advances in understanding MOF mechanical structure–property relationships due to attributes such as defects and interpenetration are highlighted, and open questions related to state-of-the-art computational approaches for quantifying their mechanical properties are critically discussed.

Authors:
 [1];  [2];  [3];  [2]; ORCiD logo [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. University of Amsterdam (The Netherlands). Van't Hoff Institute for Molecular Sciences
  3. Univ. of Cambridge (United Kingdom). Department of Materials Science and Metallurgy
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1411614
Alternate Identifier(s):
OSTI ID: 1409714
Report Number(s):
SAND-2017-9789J
Journal ID: ISSN 0935-9648; 656935; TRN: US1800251
Grant/Contract Number:  
AC04-94AL85000; NA0003525
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 30; Journal Issue: 37; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; defects; electronic devices; mechanical properties; metal–organic frameworks; sensors

Citation Formats

Burtch, Nicholas C., Heinen, Jurn, Bennett, Thomas D., Dubbeldam, David, and Allendorf, Mark D. Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications. United States: N. p., 2017. Web. doi:10.1002/adma.201704124.
Burtch, Nicholas C., Heinen, Jurn, Bennett, Thomas D., Dubbeldam, David, & Allendorf, Mark D. Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications. United States. doi:10.1002/adma.201704124.
Burtch, Nicholas C., Heinen, Jurn, Bennett, Thomas D., Dubbeldam, David, and Allendorf, Mark D. Fri . "Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications". United States. doi:10.1002/adma.201704124. https://www.osti.gov/servlets/purl/1411614.
@article{osti_1411614,
title = {Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications},
author = {Burtch, Nicholas C. and Heinen, Jurn and Bennett, Thomas D. and Dubbeldam, David and Allendorf, Mark D.},
abstractNote = {We report that some of the most remarkable recent developments in metal–organic framework (MOF) performance properties can only be rationalized by the mechanical properties endowed by their hybrid inorganic–organic nanoporous structures. While these characteristics create intriguing application prospects, the same attributes also present challenges that will need to be overcome to enable the integration of MOFs with technologies where these promising traits can be exploited. In this review, emerging opportunities and challenges are identified for MOF-enabled device functionality and technological applications that arise from their fascinating mechanical properties. This is discussed not only in the context of their more well-studied gas storage and separation applications, but also for instances where MOFs serve as components of functional nanodevices. Recent advances in understanding MOF mechanical structure–property relationships due to attributes such as defects and interpenetration are highlighted, and open questions related to state-of-the-art computational approaches for quantifying their mechanical properties are critically discussed.},
doi = {10.1002/adma.201704124},
journal = {Advanced Materials},
number = 37,
volume = 30,
place = {United States},
year = {2017},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 22 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Multicomponent Metal–Organic Frameworks as Defect-Tolerant Materials
journal, December 2015


Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks
journal, May 2010

  • Tan, J. C.; Bennett, T. D.; Cheetham, A. K.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 22
  • DOI: 10.1073/pnas.1003205107

Identifying the Role of Terahertz Vibrations in Metal-Organic Frameworks: From Gate-Opening Phenomenon to Shear-Driven Structural Destabilization
journal, November 2014


Guest-Induced Emergent Properties in Metal–Organic Frameworks
journal, March 2015

  • Allendorf, Mark D.; Foster, Michael E.; Léonard, François
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 7
  • DOI: 10.1021/jz5026883

Mechanical Properties from Periodic Plane Wave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework
journal, October 2015

  • Vanpoucke, Danny E. P.; Lejaeghere, Kurt; Van Speybroeck, Veronique
  • The Journal of Physical Chemistry C, Vol. 119, Issue 41
  • DOI: 10.1021/acs.jpcc.5b06809

Coupled Atomistic and Discrete Dislocation Plasticity
journal, June 2002


Exceptionally Low Shear Modulus in a Prototypical Imidazole-Based Metal-Organic Framework
journal, February 2012


Material challenge for flexible organic devices
journal, April 2006


Elastic constants and statistical ensembles in molecular dynamics
journal, August 1988


The materials genome in action: identifying the performance limits for methane storage
journal, January 2015

  • Simon, Cory M.; Kim, Jihan; Gomez-Gualdron, Diego A.
  • Energy & Environmental Science, Vol. 8, Issue 4
  • DOI: 10.1039/C4EE03515A

Flexible metal–organic frameworks
journal, January 2014

  • Schneemann, A.; Bon, V.; Schwedler, I.
  • Chem. Soc. Rev., Vol. 43, Issue 16
  • DOI: 10.1039/C4CS00101J

Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory
journal, March 2015

  • Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A.
  • Journal of the American Chemical Society, Vol. 137, Issue 10
  • DOI: 10.1021/ja512973b

Infinite polymeric frameworks consisting of three dimensionally linked rod-like segments
journal, July 1989

  • Hoskins, Bernard F.; Robson, Richard
  • Journal of the American Chemical Society, Vol. 111, Issue 15
  • DOI: 10.1021/ja00197a079

Exceptional Mechanical Stability of Highly Porous Zirconium Metal–Organic Framework UiO-66 and Its Important Implications
journal, March 2013

  • Wu, Hui; Yildirim, Taner; Zhou, Wei
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 6
  • DOI: 10.1021/jz4002345

Characterization of Piezoresistive Microcantilever Sensors with Metal Organic Frameworks for the Detection of Volatile Organic Compounds
journal, March 2013

  • Ellern, I.; Venkatasubramanian, A.; Lee, J. H.
  • ECS Transactions, Vol. 50, Issue 12
  • DOI: 10.1149/05012.0469ecst

Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
journal, October 2014

  • Chung, Yongchul G.; Camp, Jeffrey; Haranczyk, Maciej
  • Chemistry of Materials, Vol. 26, Issue 21
  • DOI: 10.1021/cm502594j

The Elastic Behaviour of a Crystalline Aggregate
journal, May 1952


Modulating Adsorption and Stability Properties in Pillared Metal–Organic Frameworks: A Model System for Understanding Ligand Effects
journal, October 2015


Hybrid glasses from strong and fragile metal-organic framework liquids
journal, August 2015

  • Bennett, Thomas D.; Tan, Jin-Chong; Yue, Yuanzheng
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9079

A Brief Review of Elasticity and Viscoelasticity for Solids
journal, February 2011

  • Banks, Harvey Thomas; Hu, Shuhua; Kenz, Zackary R.
  • Advances in Applied Mathematics and Mechanics, Vol. 3, Issue 1
  • DOI: 10.4208/aamm.10-m1030

Kinetic Water Stability of an Isostructural Family of Zinc-Based Pillared Metal–Organic Frameworks
journal, January 2013

  • Jasuja, Himanshu; Burtch, Nicholas C.; Huang, You-gui
  • Langmuir, Vol. 29, Issue 2
  • DOI: 10.1021/la304204k

An Exceptionally Stable, Porphyrinic Zr Metal–Organic Framework Exhibiting pH-Dependent Fluorescence
journal, September 2013

  • Jiang, Hai-Long; Feng, Dawei; Wang, Kecheng
  • Journal of the American Chemical Society, Vol. 135, Issue 37
  • DOI: 10.1021/ja406844r

Recommended Values for the Thermal Expansivity of Silicon from 0 to 1000 K
journal, April 1983

  • Swenson, C. A.
  • Journal of Physical and Chemical Reference Data, Vol. 12, Issue 2
  • DOI: 10.1063/1.555681

Energy Storage during Compression of Metal–Organic Frameworks
journal, March 2017

  • Miao, Yu-Run; Su, Zhi; Suslick, Kenneth S.
  • Journal of the American Chemical Society, Vol. 139, Issue 13
  • DOI: 10.1021/jacs.7b01593

Ab initiomolecular dynamics for liquid metals
journal, January 1993


MOFs move to market
journal, October 2016


Mechanisms of Plastic Deformation of Metal–Organic Framework-5
journal, November 2015

  • Banlusan, Kiettipong; Antillon, Edwin; Strachan, Alejandro
  • The Journal of Physical Chemistry C, Vol. 119, Issue 46
  • DOI: 10.1021/acs.jpcc.5b05446

Porous Field-Effect Transistors Based on a Semiconductive Metal–Organic Framework
journal, November 2016

  • Wu, Guodong; Huang, Jiahong; Zang, Ying
  • Journal of the American Chemical Society, Vol. 139, Issue 4
  • DOI: 10.1021/jacs.6b08511

Methane Storage in Metal–Organic Frameworks: Current Records, Surprise Findings, and Challenges
journal, July 2013

  • Peng, Yang; Krungleviciute, Vaiva; Eryazici, Ibrahim
  • Journal of the American Chemical Society, Vol. 135, Issue 32, p. 11887-11894
  • DOI: 10.1021/ja4045289

An updated roadmap for the integration of metal–organic frameworks with electronic devices and chemical sensors
journal, January 2017

  • Stassen, Ivo; Burtch, Nicholas; Talin, Alec
  • Chemical Society Reviews, Vol. 46, Issue 11
  • DOI: 10.1039/C7CS00122C

Defects in Metal–Organic Frameworks: Challenge or Opportunity?
journal, August 2015


Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
journal, July 2013

  • Yang, Qingyuan; Liu, Dahuan; Zhong, Chongli
  • Chemical Reviews, Vol. 113, Issue 10
  • DOI: 10.1021/cr400005f

Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening
journal, May 2013

  • Ortiz, Aurélie U.; Boutin, Anne; Fuchs, Alain H.
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 11
  • DOI: 10.1021/jz400880p

“Heterogeneity within Order” in Metal-Organic Frameworks
journal, January 2015

  • Furukawa, Hiroyasu; Müller, Ulrich; Yaghi, Omar M.
  • Angewandte Chemie International Edition, Vol. 54, Issue 11
  • DOI: 10.1002/anie.201410252

Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks
journal, June 2007

  • Dubbeldam, David; Walton, Krista S.; Ellis, Donald E.
  • Angewandte Chemie International Edition, Vol. 46, Issue 24
  • DOI: 10.1002/anie.200700218

Universal Elastic Anisotropy Index
journal, August 2008


XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
journal, August 1954

  • Pugh, S. F.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 45, Issue 367
  • DOI: 10.1080/14786440808520496

Exploration of the mechanical behavior of metal organic frameworks UiO-66(Zr) and MIL-125(Ti) and their NH 2 functionalized versions
journal, January 2016

  • Yot, Pascal. G.; Yang, Ke; Ragon, Florence
  • Dalton Transactions, Vol. 45, Issue 10
  • DOI: 10.1039/C5DT03621F

Increased volumetric hydrogen uptake of MOF-5 by powder densification
journal, February 2012


Defects in metal–organic frameworks: a compromise between adsorption and stability?
journal, January 2016

  • Thornton, A. W.; Babarao, R.; Jain, A.
  • Dalton Transactions, Vol. 45, Issue 10
  • DOI: 10.1039/C5DT04330A

Metal–Organic Framework (MOF) Defects under Control: Insights into the Missing Linker Sites and Their Implication in the Reactivity of Zirconium-Based Frameworks
journal, August 2015

  • Gutov, Oleksii V.; Hevia, Miguel González; Escudero-Adán, Eduardo C.
  • Inorganic Chemistry, Vol. 54, Issue 17
  • DOI: 10.1021/acs.inorgchem.5b01053

Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion
journal, October 2012

  • Niu, Haiyang; Chen, Xing-Qiu; Liu, Peitao
  • Scientific Reports, Vol. 2, Issue 1
  • DOI: 10.1038/srep00718

Crystal engineering, structure–function relationships, and the future of metal–organic frameworks
journal, January 2015

  • Allendorf, Mark D.; Stavila, Vitalie
  • CrystEngComm, Vol. 17, Issue 2
  • DOI: 10.1039/C4CE01693A

A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks
journal, January 2016

  • Hobday, Claire L.; Marshall, Ross J.; Murphie, Colin F.
  • Angewandte Chemie International Edition, Vol. 55, Issue 7
  • DOI: 10.1002/anie.201509352

Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals – a nanoindentation study
journal, January 2014

  • Henke, Sebastian; Li, Wei; Cheetham, Anthony K.
  • Chemical Science, Vol. 5, Issue 6
  • DOI: 10.1039/c4sc00497c

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study
journal, January 2016

  • Bennett, Thomas D.; Todorova, Tanya K.; Baxter, Emma F.
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 3
  • DOI: 10.1039/C5CP06798G

Computational Chemistry Methods for Nanoporous Materials
journal, September 2016


The elasticity of MOFs under mechanical pressure
journal, January 2016

  • Yang, Ke; Zhou, Guanglin; Xu, Quan
  • RSC Advances, Vol. 6, Issue 44
  • DOI: 10.1039/C5RA23149C

A Chromium Terephthalate-Based Solid with Unusually Large Pore Volumes and Surface Area
journal, September 2005

  • Ferey, G.; Mellot-Draznieks, C.; Serre, C.
  • Science, Vol. 309, Issue 5743, p. 2040-2042
  • DOI: 10.1126/science.1116275

Interpenetration control in metal–organic frameworks for functional applications
journal, August 2013

  • Jiang, Hai-Long; Makal, Trevor A.; Zhou, Hong-Cai
  • Coordination Chemistry Reviews, Vol. 257, Issue 15-16
  • DOI: 10.1016/j.ccr.2013.03.017

Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework
journal, June 2017


The application of monoliths for gas phase catalytic reactions
journal, March 2001


Chemical, thermal and mechanical stabilities of metal–organic frameworks
journal, February 2016


Zr(iv) and Hf(iv) based metal–organic frameworks with reo-topology
journal, January 2012

  • Bon, Volodymyr; Senkovskyy, Volodymyr; Senkovska, Irena
  • Chemical Communications, Vol. 48, Issue 67
  • DOI: 10.1039/c2cc34246d

On the importance of the free energy for elasticity under pressure
journal, July 2002


A partially interpenetrated metal–organic framework for selective hysteretic sorption of carbon dioxide
journal, June 2012

  • Yang, Sihai; Lin, Xiang; Lewis, William
  • Nature Materials, Vol. 11, Issue 8
  • DOI: 10.1038/nmat3343

Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion
journal, August 2016


Very Large Breathing Effect in the First Nanoporous Chromium(III)-Based Solids MIL-53 or CrIII(OH)·{O2C−C6H4−CO2}·{HO2C−C6H4−CO2H}x·H2Oy
journal, November 2002

  • Serre, Christian; Millange, Franck; Thouvenot, Christelle
  • Journal of the American Chemical Society, Vol. 124, Issue 45, p. 13519-13526
  • DOI: 10.1021/ja0276974

Stability, thermal and mechanical properties of PtxAly compounds
journal, June 2011


Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)
journal, January 2011

  • Bennett, Thomas D.; Simoncic, Petra; Moggach, Stephen A.
  • Chemical Communications, Vol. 47, Issue 28
  • DOI: 10.1039/c1cc11985k

Methane storage in flexible metal–organic frameworks with intrinsic thermal management
journal, October 2015

  • Mason, Jarad A.; Oktawiec, Julia; Taylor, Mercedes K.
  • Nature, Vol. 527, Issue 7578
  • DOI: 10.1038/nature15732

Metal-Organic Framework Nanofilm for Mechanically Flexible Information Storage Applications
journal, March 2015

  • Pan, Liang; Ji, Zhenghui; Yi, Xiaohui
  • Advanced Functional Materials, Vol. 25, Issue 18
  • DOI: 10.1002/adfm.201500449

Fluorous Metal–Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage
journal, November 2011

  • Yang, Chi; Kaipa, Ushasree; Mather, Qian Zhang
  • Journal of the American Chemical Society, Vol. 133, Issue 45, p. 18094-18097
  • DOI: 10.1021/ja208408n

Aspects of the computational testing of the mechanical properties of microheterogeneous material samples
journal, January 2001

  • Zohdi, T. I.; Wriggers, P.
  • International Journal for Numerical Methods in Engineering, Vol. 50, Issue 11
  • DOI: 10.1002/nme.146

Mixed Atomistic and Continuum Models of Deformation in Solids
journal, January 1996

  • Tadmor, E. B.; Phillips, Rob; Ortiz, M.
  • Langmuir, Vol. 12, Issue 19
  • DOI: 10.1021/la9508912

Amorphous Metal–Organic Frameworks
journal, April 2014

  • Bennett, Thomas D.; Cheetham, Anthony K.
  • Accounts of Chemical Research, Vol. 47, Issue 5
  • DOI: 10.1021/ar5000314

Stress-related effects in thin films
journal, April 1989


Mechanochemical Synthesis of Metal−Organic Frameworks: A Fast and Facile Approach toward Quantitative Yields and High Specific Surface Areas
journal, September 2010

  • Klimakow, Maria; Klobes, Peter; Thünemann, Andreas F.
  • Chemistry of Materials, Vol. 22, Issue 18
  • DOI: 10.1021/cm1012119

Self-Accelerating CO Sorption in a Soft Nanoporous Crystal
journal, December 2013


A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n
journal, February 1999


Interplay between defects, disorder and flexibility in metal-organic frameworks
journal, December 2016

  • Bennett, Thomas D.; Cheetham, Anthony K.; Fuchs, Alain H.
  • Nature Chemistry, Vol. 9, Issue 1
  • DOI: 10.1038/nchem.2691

Distributed sensor networks—a review of recent research
journal, September 2001

  • Qi, Hairong; Iyengar, S. Sitharama; Chakrabarty, Krishnendu
  • Journal of the Franklin Institute, Vol. 338, Issue 6
  • DOI: 10.1016/S0016-0032(01)00026-6

Observing the Effects of Shaping on Gas Adsorption in Metal-Organic Frameworks: Observing the Effects of Shaping on Gas Adsorption in Metal-Organic Frameworks
journal, July 2016

  • Chanut, Nicolas; Wiersum, Andrew D.; Lee, U-Hwang
  • European Journal of Inorganic Chemistry, Vol. 2016, Issue 27
  • DOI: 10.1002/ejic.201600410

Alcohol-Mediated Resistance-Switching Behavior in Metal-Organic Framework-Based Electronic Devices
journal, June 2016


A material frame approach for evaluating continuum variables in atomistic simulations
journal, March 2010

  • Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy A.
  • Journal of Computational Physics, Vol. 229, Issue 6
  • DOI: 10.1016/j.jcp.2009.11.039

MOF @ MEMS: Design optimization for high sensitivity chemical detection
journal, June 2012

  • Venkatasubramanian, Anandram; Lee, Jin-Hwan; Stavila, Vitalie
  • Sensors and Actuators B: Chemical, Vol. 168
  • DOI: 10.1016/j.snb.2012.04.019

Corrigendum: Integrated microcantilevers for high-resolution sensing and probing
journal, January 2012


Shape-Memory Nanopores Induced in Coordination Frameworks by Crystal Downsizing
journal, January 2013


Adsorption and desorption characteristics of alcohol vapors on a nanoporous ZIF-8 film investigated using silicon microcantilevers
journal, January 2015

  • Yim, Changyong; Lee, Moonchan; Kim, Wuseok
  • Chem. Commun., Vol. 51, Issue 28
  • DOI: 10.1039/C5CC01315A

Investigating water and framework dynamics in pillared MOFs
journal, April 2015


Complex thermoelectric materials
journal, February 2008

  • Snyder, G. Jeffrey; Toberer, Eric S.
  • Nature Materials, Vol. 7, Issue 2, p. 105-114
  • DOI: 10.1038/nmat2090

Statistical ensembles and molecular dynamics studies of anisotropic solids. II
journal, May 1985

  • Ray, John R.; Rahman, Aneesur
  • The Journal of Chemical Physics, Vol. 82, Issue 9
  • DOI: 10.1063/1.448813

Strain fluctuations and elastic constants
journal, March 1982

  • Parrinello, M.; Rahman, A.
  • The Journal of Chemical Physics, Vol. 76, Issue 5
  • DOI: 10.1063/1.443248

Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future
journal, March 2017


The Statistical Mechanical Theory of Transport Processes. IV. The Equations of Hydrodynamics
journal, June 1950

  • Irving, J. H.; Kirkwood, John G.
  • The Journal of Chemical Physics, Vol. 18, Issue 6
  • DOI: 10.1063/1.1747782

A Roadmap to Implementing Metal-Organic Frameworks in Electronic Devices: Challenges and Critical Directions
journal, September 2011

  • Allendorf, Mark D.; Schwartzberg, Adam; Stavila, Vitalie
  • Chemistry - A European Journal, Vol. 17, Issue 41, p. 11372-11388
  • DOI: 10.1002/chem.201101595

GULP: A computer program for the symmetry-adapted simulation of solids
journal, January 1997

  • Gale, Julian D.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 93, Issue 4
  • DOI: 10.1039/a606455h

Tailoring adsorption induced phase transitions in the pillared-layer type metal–organic framework DUT-8(Ni)
journal, January 2017

  • Kavoosi, Negar; Bon, Volodymyr; Senkovska, Irena
  • Dalton Transactions, Vol. 46, Issue 14
  • DOI: 10.1039/C7DT00015D

Metal–Organic Frameworks (MOFs)
journal, January 2014

  • Zhou, Hong-Cai “Joe”; Kitagawa, Susumu
  • Chem. Soc. Rev., Vol. 43, Issue 16
  • DOI: 10.1039/C4CS90059F

Brillouin Scattering: A Tool for the Measurement of Elastic and Photoelastic Constants
journal, July 1972


Correlated defect nanoregions in a metal–organic framework
journal, June 2014

  • Cliffe, Matthew J.; Wan, Wei; Zou, Xiaodong
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5176

Facile measurement of single-crystal elastic constants from polycrystalline samples
journal, April 2017


Method for Analyzing Structural Changes of Flexible Metal−Organic Frameworks Induced by Adsorbates
journal, October 2009

  • Dubbeldam, D.; Krishna, R.; Snurr, R. Q.
  • The Journal of Physical Chemistry C, Vol. 113, Issue 44
  • DOI: 10.1021/jp906635f

Mechanical properties of electrochemically synthesised metal–organic framework thin films
journal, January 2013

  • Van de Voorde, Ben; Ameloot, Rob; Stassen, Ivo
  • Journal of Materials Chemistry C, Vol. 1, Issue 46
  • DOI: 10.1039/c3tc31039f

Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers
journal, April 2008

  • Greathouse, Jeffery A.; Allendorf, Mark D.
  • The Journal of Physical Chemistry C, Vol. 112, Issue 15
  • DOI: 10.1021/jp076853w

The role of metal–organic frameworks in a carbon-neutral energy cycle
journal, April 2016


Principles of stability analysis of ideal crystals
journal, March 1977


Materials selection guidelines for low thermal conductivity thermal barrier coatings
journal, January 2003


Control of interpenetration of copper-based MOFs on supported surfaces by electrochemical synthesis
journal, January 2016

  • Sachdeva, Sumit; Pustovarenko, Alexey; Sudhölter, Ernst J. R.
  • CrystEngComm, Vol. 18, Issue 22
  • DOI: 10.1039/C5CE02462E

Monolith-Supported Amine-Functionalized Mg 2 (dobpdc) Adsorbents for CO 2 Capture
journal, April 2017

  • Darunte, Lalit A.; Terada, Yuri; Murdock, Christopher R.
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 20
  • DOI: 10.1021/acsami.7b02035

Selective gas adsorption and separation in metal–organic frameworks
journal, January 2009

  • Li, Jian-Rong; Kuppler, Ryan J.; Zhou, Hong-Cai
  • Chemical Society Reviews, Vol. 38, Issue 5, p. 1477-1504
  • DOI: 10.1039/b802426j

Understanding DABCO Nanorotor Dynamics in Isostructural Metal–Organic Frameworks
journal, February 2015

  • Burtch, Nicholas C.; Torres-Knoop, Ariana; Foo, Guo Shiou
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 5
  • DOI: 10.1021/jz502653y

Generalized expressions for the calculation of elastic constants by computer simulation
journal, April 1989

  • Lutsko, J. F.
  • Journal of Applied Physics, Vol. 65, Issue 8
  • DOI: 10.1063/1.342716

Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals
journal, January 2015

  • Umeyama, Daiki; Horike, Satoshi; Inukai, Munehiro
  • Journal of the American Chemical Society, Vol. 137, Issue 2
  • DOI: 10.1021/ja511019u

Monte Carlo simulations in the isoenthalpic-isotension-isobaric ensemble
journal, October 1992


Comment on  On the importance of the free energy for elasticity under pressure 
journal, November 2004


Reply to Comment on  On the importance of the free energy for elasticity under pressure 
journal, November 2004


Trapping Guests within a Nanoporous Metal–Organic Framework through Pressure-Induced Amorphization
journal, November 2011

  • Chapman, Karena W.; Sava, Dorina F.; Halder, Gregory J.
  • Journal of the American Chemical Society, Vol. 133, Issue 46
  • DOI: 10.1021/ja2085096

The Direct Heat Measurement of Mechanical Energy Storage Metal-Organic Frameworks
journal, February 2015

  • Rodriguez, Julien; Beurroies, Isabelle; Loiseau, Thierry
  • Angewandte Chemie International Edition, Vol. 54, Issue 15
  • DOI: 10.1002/anie.201411202

Defect-Engineered Metal-Organic Frameworks
journal, June 2015

  • Fang, Zhenlan; Bueken, Bart; De Vos, Dirk E.
  • Angewandte Chemie International Edition, Vol. 54, Issue 25
  • DOI: 10.1002/anie.201411540

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
journal, February 2015


Second-order elastic constants of a solid under stress
journal, March 1965


Role of the elastic constants in negative thermal expansion of axial solids
journal, March 1972


Enhanced Stability of Cu-BTC MOF via Perfluorohexane Plasma-Enhanced Chemical Vapor Deposition
journal, January 2012

  • Decoste, Jared B.; Peterson, Gregory W.; Smith, Martin W.
  • Journal of the American Chemical Society, Vol. 134, Issue 3
  • DOI: 10.1021/ja211182m

Statistical ensembles and molecular dynamics studies of anisotropic solids
journal, May 1984

  • Ray, John R.; Rahman, A.
  • The Journal of Chemical Physics, Vol. 80, Issue 9
  • DOI: 10.1063/1.447221

A pressure-amplifying framework material with negative gas adsorption transitions
journal, April 2016

  • Krause, Simon; Bon, Volodymyr; Senkovska, Irena
  • Nature, Vol. 532, Issue 7599
  • DOI: 10.1038/nature17430

The Measurement of Coefficients of Expansion at low Temperatures: some Thermodynamic Applications of Expansion data
journal, September 1926

  • Buffington, Ralph M.; Latimer, Wendell M.
  • Journal of the American Chemical Society, Vol. 48, Issue 9
  • DOI: 10.1021/ja01420a009

AFM nanoindentation: tip shape and tip radius of curvature effect on the hardness measurement
journal, November 2008


Postsynthetic Methods for the Functionalization of Metal–Organic Frameworks
journal, September 2011

  • Cohen, Seth M.
  • Chemical Reviews, Vol. 112, Issue 2, p. 970-1000
  • DOI: 10.1021/cr200179u

Materials for next-generation molecularly selective synthetic membranes
journal, January 2017

  • Koros, William J.; Zhang, Chen
  • Nature Materials, Vol. 16, Issue 3
  • DOI: 10.1038/nmat4805

Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks
journal, January 2016

  • Vandichel, M.; Hajek, J.; Ghysels, A.
  • CrystEngComm, Vol. 18, Issue 37
  • DOI: 10.1039/C6CE01027J

Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film
journal, March 2016

  • Sakaida, Shun; Otsubo, Kazuya; Sakata, Osami
  • Nature Chemistry, Vol. 8, Issue 4
  • DOI: 10.1038/nchem.2469

Bottom-up construction of a superstructure in a porous uranium-organic crystal
journal, April 2017

  • Li, Peng; Vermeulen, Nicolaas A.; Malliakas, Christos D.
  • Science, Vol. 356, Issue 6338
  • DOI: 10.1126/science.aam7851

Stability criteria for homogeneously stressed materials and the calculation of elastic constants
journal, August 1996


Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?
journal, May 2013

  • Ortiz, Aurélie U.; Boutin, A.; Fuchs, Alain H.
  • The Journal of Chemical Physics, Vol. 138, Issue 17
  • DOI: 10.1063/1.4802770

CO2-Selective Nanoporous Metal-Organic Framework Microcantilevers
journal, June 2015

  • Yim, Changyong; Lee, Moonchan; Yun, Minhyuk
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep10674

Mechanical properties of hybrid inorganic–organic framework materials: establishing fundamental structure–property relationships
journal, January 2011

  • Tan, Jin Chong; Cheetham, Anthony K.
  • Chemical Society Reviews, Vol. 40, Issue 2
  • DOI: 10.1039/c0cs00163e

The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa
journal, September 2009

  • Moggach, Stephen A.; Bennett, Thomas D.; Cheetham, Anthony K.
  • Angewandte Chemie, Vol. 121, Issue 38
  • DOI: 10.1002/ange.200902643

Metal-Organic Frameworks in Monolithic Structures: Rapid Communications of the American Ceramic Society
journal, April 2010


Water Stability and Adsorption in Metal–Organic Frameworks
journal, September 2014

  • Burtch, Nicholas C.; Jasuja, Himanshu; Walton, Krista S.
  • Chemical Reviews, Vol. 114, Issue 20, p. 10575-10612
  • DOI: 10.1021/cr5002589

Elasticity in crystals under pressure
journal, February 2009


Diamond anvil cell and high-pressure physical investigations
journal, January 1983


Direct Observation and Quantification of CO 2 Binding Within an Amine-Functionalized Nanoporous Solid
journal, October 2010

  • Vaidhyanathan, Ramanathan; Iremonger, Simon S.; Shimizu, George K. H.
  • Science, Vol. 330, Issue 6004
  • DOI: 10.1126/science.1194237

Reviewing the roots of continuum formulations in molecular systems. Part III: Stresses, couple stresses, heat fluxes
journal, December 2013


Metal–organic frameworks as potential shock absorbers: the case of the highly flexible MIL-53(Al)
journal, January 2014

  • Yot, Pascal G.; Boudene, Zoubeyr; Macia, Jasmine
  • Chem. Commun., Vol. 50, Issue 67
  • DOI: 10.1039/C4CC03853C

Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor
journal, July 2017

  • Heinen, Jurn; Burtch, Nicholas C.; Walton, Krista S.
  • Journal of Chemical Theory and Computation, Vol. 13, Issue 8
  • DOI: 10.1021/acs.jctc.7b00310

Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks
journal, November 2008

  • Allendorf, Mark D.; Houk, Ronald J. T.; Andruszkiewicz, Leanne
  • Journal of the American Chemical Society, Vol. 130, Issue 44, p. 14404-14405
  • DOI: 10.1021/ja805235k

Direct Measurement of Adsorbed Gas Redistribution in Metal–Organic Frameworks
journal, February 2015

  • Chen, Ying-Pin; Liu, Yangyang; Liu, Dahuan
  • Journal of the American Chemical Society, Vol. 137, Issue 8
  • DOI: 10.1021/ja5103579

Atomistic simulations of elastic deformation and dislocation nucleation during nanoindentation
journal, May 2003

  • Lilleodden, E. T.; Zimmerman, J. A.; Foiles, S. M.
  • Journal of the Mechanics and Physics of Solids, Vol. 51, Issue 5
  • DOI: 10.1016/S0022-5096(02)00119-9

Reviewing the roots of continuum formulations in molecular systems. Part II: Energy and angular momentum balance equations
journal, June 2013


The rise of low-cost sensing for managing air pollution in cities
journal, February 2015


Thermal effects on coated resonant microcantilevers
journal, December 2001


Isoreticular zirconium-based metal–organic frameworks: discovering mechanical trends and elastic anomalies controlling chemical structure stability
journal, January 2016

  • Ryder, Matthew R.; Civalleri, Bartolomeo; Tan, Jin-Chong
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 13
  • DOI: 10.1039/C6CP00864J

Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals?
journal, November 2012


Tunable Electrical Conductivity in Metal-Organic Framework Thin-Film Devices
journal, December 2013

  • Talin, A. Alec; Centrone, Andrea; Ford, Alexandra C.
  • Science, Vol. 343, Issue 6166, p. 66-69
  • DOI: 10.1126/science.1246738

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
journal, March 2015

  • McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian
  • Nature, Vol. 519, Issue 7543
  • DOI: 10.1038/nature14327

Macroscopic Simulation of Deformation in Soft Microporous Composites
journal, March 2017

  • Evans, Jack D.; Coudert, François-Xavier
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 7
  • DOI: 10.1021/acs.jpclett.7b00397

Iron-based cathode catalyst with enhanced power density in polymer electrolyte membrane fuel cells
journal, August 2011

  • Proietti, Eric; Jaouen, Frédéric; Lefèvre, Michel
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1427

Broadly Hysteretic H 2 Adsorption in the Microporous Metal−Organic Framework Co(1,4-benzenedipyrazolate)
journal, June 2008

  • Choi, Hye Jin; Dincă, Mircea; Long, Jeffrey R.
  • Journal of the American Chemical Society, Vol. 130, Issue 25
  • DOI: 10.1021/ja8024092

C RYSTAL14 : A program for the ab initio investigation of crystalline solids
journal, March 2014

  • Dovesi, Roberto; Orlando, Roberto; Erba, Alessandro
  • International Journal of Quantum Chemistry, Vol. 114, Issue 19
  • DOI: 10.1002/qua.24658

Functional Porous Coordination Polymers
journal, April 2004

  • Kitagawa, Susumu; Kitaura, Ryo; Noro, Shin-ichiro
  • Angewandte Chemie International Edition, Vol. 43, Issue 18, p. 2334-2375
  • DOI: 10.1002/anie.200300610

The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013

  • Furukawa, H.; Cordova, K. E.; O'Keeffe, M.
  • Science, Vol. 341, Issue 6149, p. 1230444-1230444
  • DOI: 10.1126/science.1230444

Enhanced Framework Rigidity of a Zeolitic Metal-Azolate via Ligand Substitution
journal, March 2017


Stimulus-Responsive Metal-Organic Frameworks
journal, May 2014

  • Nagarkar, Sanjog S.; Desai, Aamod V.; Ghosh, Sujit K.
  • Chemistry - An Asian Journal, Vol. 9, Issue 9
  • DOI: 10.1002/asia.201402004

A new test methodology for evaluating scratch resistance of polymers
journal, June 2004


Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory
journal, November 2016


Zeolites at high pressure: A review
journal, April 2014


Electrically Conductive Porous Metal-Organic Frameworks
journal, January 2016

  • Sun, Lei; Campbell, Michael G.; Dincă, Mircea
  • Angewandte Chemie International Edition, Vol. 55, Issue 11
  • DOI: 10.1002/anie.201506219

Negative Thermal Expansion in the Metal-Organic Framework Material Cu 3 (1,3,5-benzenetricarboxylate) 2
journal, November 2008

  • Wu, Yue; Kobayashi, Atsushi; Halder, Gregory J.
  • Angewandte Chemie, Vol. 120, Issue 46
  • DOI: 10.1002/ange.200803925

Metal–organic frameworks for thermoelectric energy-conversion applications
journal, November 2016

  • Talin, A. Alec; Jones, Reese E.; Hopkins, Patrick E.
  • MRS Bulletin, Vol. 41, Issue 11
  • DOI: 10.1557/mrs.2016.242

Soft porous crystals
journal, November 2009

  • Horike, Satoshi; Shimomura, Satoru; Kitagawa, Susumu
  • Nature Chemistry, Vol. 1, Issue 9, p. 695-704
  • DOI: 10.1038/nchem.444

Pressure-Induced Amorphization and Porosity Modification in a Metal−Organic Framework
journal, December 2009

  • Chapman, Karena W.; Halder, Gregory J.; Chupas, Peter J.
  • Journal of the American Chemical Society, Vol. 131, Issue 48
  • DOI: 10.1021/ja908415z

Thermodynamics of Crystals
journal, November 1972

  • Wallace, Duane C.; Callen, Herbert
  • American Journal of Physics, Vol. 40, Issue 11
  • DOI: 10.1119/1.1987046

    Works referencing / citing this record:

    Formation of CX Bonds in CO 2 Chemical Fixation Catalyzed by Metal−Organic Frameworks
    journal, June 2019


    Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives
    journal, July 2019

    • Mezenov, Yuri A.; Krasilin, Andrei A.; Dzyuba, Vladimir P.
    • Advanced Science, Vol. 6, Issue 17
    • DOI: 10.1002/advs.201900506

    In situ visualization of loading-dependent water effects in a stable metal–organic framework
    journal, December 2019

    • Burtch, Nicholas C.; Walton, Ian M.; Hungerford, Julian T.
    • Nature Chemistry, Vol. 12, Issue 2
    • DOI: 10.1038/s41557-019-0374-y

    Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal–organic frameworks
    journal, January 2019

    • Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.
    • Nanoscale, Vol. 11, Issue 21
    • DOI: 10.1039/c9nr02167a

    Gas transport regulation in a MO/MOF interface for enhanced selective gas detection
    journal, January 2019

    • Yao, Ming-Shui; Cao, Lin-An; Tang, Yong-Xiang
    • Journal of Materials Chemistry A, Vol. 7, Issue 31
    • DOI: 10.1039/c9ta05226g

    Formation of CX Bonds in CO 2 Chemical Fixation Catalyzed by Metal−Organic Frameworks
    journal, June 2019


    Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives
    journal, July 2019

    • Mezenov, Yuri A.; Krasilin, Andrei A.; Dzyuba, Vladimir P.
    • Advanced Science, Vol. 6, Issue 17
    • DOI: 10.1002/advs.201900506

    In situ visualization of loading-dependent water effects in a stable metal–organic framework
    journal, December 2019

    • Burtch, Nicholas C.; Walton, Ian M.; Hungerford, Julian T.
    • Nature Chemistry, Vol. 12, Issue 2
    • DOI: 10.1038/s41557-019-0374-y

    Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal–organic frameworks
    journal, January 2019

    • Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.
    • Nanoscale, Vol. 11, Issue 21
    • DOI: 10.1039/c9nr02167a

    Gas transport regulation in a MO/MOF interface for enhanced selective gas detection
    journal, January 2019

    • Yao, Ming-Shui; Cao, Lin-An; Tang, Yong-Xiang
    • Journal of Materials Chemistry A, Vol. 7, Issue 31
    • DOI: 10.1039/c9ta05226g