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Title: Temperature-regulated guest admission and release in microporous materials

Authors:
; ; ; ; ; ; ; ; ORCiD logo; ; ORCiD logo
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Understanding and Control of Acid Gas-induced Evolution of Materials for Energy (UNCAGE-ME)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1389036
DOE Contract Number:  
SC0012577
Resource Type:
Journal Article
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Related Information: UNCAGE-ME partners with Georgia Institute of Technology (lead); Lehigh University; Oak Ridge National Laboratory; University of Alabama; University of Florida; University of Wisconsin; Washington University in St. Louis; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), defects, membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Li, Gang, Shang, Jin, Gu, Qinfen, Awati, Rohan V., Jensen, Nathan, Grant, Andrew, Zhang, Xueying, Sholl, David S., Liu, Jefferson Z., Webley, Paul A., and May, Eric F. Temperature-regulated guest admission and release in microporous materials. United States: N. p., 2017. Web. doi:10.1038/ncomms15777.
Li, Gang, Shang, Jin, Gu, Qinfen, Awati, Rohan V., Jensen, Nathan, Grant, Andrew, Zhang, Xueying, Sholl, David S., Liu, Jefferson Z., Webley, Paul A., & May, Eric F. Temperature-regulated guest admission and release in microporous materials. United States. doi:10.1038/ncomms15777.
Li, Gang, Shang, Jin, Gu, Qinfen, Awati, Rohan V., Jensen, Nathan, Grant, Andrew, Zhang, Xueying, Sholl, David S., Liu, Jefferson Z., Webley, Paul A., and May, Eric F. Fri . "Temperature-regulated guest admission and release in microporous materials". United States. doi:10.1038/ncomms15777.
@article{osti_1389036,
title = {Temperature-regulated guest admission and release in microporous materials},
author = {Li, Gang and Shang, Jin and Gu, Qinfen and Awati, Rohan V. and Jensen, Nathan and Grant, Andrew and Zhang, Xueying and Sholl, David S. and Liu, Jefferson Z. and Webley, Paul A. and May, Eric F.},
abstractNote = {},
doi = {10.1038/ncomms15777},
journal = {Nature Communications},
issn = {2041-1723},
number = ,
volume = 8,
place = {United States},
year = {2017},
month = {6}
}

Works referenced in this record:

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  • Chemical Communications, Issue 39
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An extended Langmuir model for adsorption of gas mixtures on heterogeneous surfaces
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A Mesh-Adjustable Molecular Sieve for General Use in Gas Separation
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Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework
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A Study of Heat-Treatment Induced Framework Contraction in Strontium-ETS-4 by Powder Neutron Diffraction and Vibrational Spectroscopy
journal, December 2001

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Cation Gating and Relocation during the Highly Selective “Trapdoor” Adsorption of CO 2 on Univalent Cation Forms of Zeolite Rho
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Hydrogen storage in metal–organic frameworks
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Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels
journal, May 2013


Site-Specific CO2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network
journal, December 2011

  • Queen, Wendy L.; Brown, Craig M.; Britt, David K.
  • The Journal of Physical Chemistry C, Vol. 115, Issue 50, p. 24915-24919
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Trapdoors in zeolites
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

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  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

Unconventional, Highly Selective CO 2 Adsorption in Zeolite SSZ-13
journal, January 2012

  • Hudson, Matthew R.; Queen, Wendy L.; Mason, Jarad A.
  • Journal of the American Chemical Society, Vol. 134, Issue 4
  • DOI: 10.1021/ja210580b

Synthesis Strategies for Preparing Useful Small Pore Zeolites and Zeotypes for Gas Separations and Catalysis
journal, July 2013

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  • Chemistry of Materials, Vol. 26, Issue 1
  • DOI: 10.1021/cm4015095

Identification of High-CO 2 -Capacity Cationic Zeolites by Accurate Computational Screening
journal, May 2016


Novel low energy hydrogen–deuterium isotope breakthrough separation using a trapdoor zeolite
journal, March 2016

  • Physick, Andrew J. W.; Wales, Dominic J.; Owens, Simon H. R.
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Discriminative Separation of Gases by a “Molecular Trapdoor” Mechanism in Chabazite Zeolites
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Ordered porous materials for emerging applications
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Adsorption and Separation of CO 2 on KFI Zeolites: Effect of Cation Type and Si/Al Ratio on Equilibrium and Kinetic Properties
journal, April 2013

  • Remy, Tom; Peter, Sunil A.; Van Tendeloo, Leen
  • Langmuir, Vol. 29, Issue 16
  • DOI: 10.1021/la400352r

Determination of Composition Range for “Molecular Trapdoor” Effect in Chabazite Zeolite
journal, June 2013

  • Shang, Jin; Li, Gang; Singh, Ranjeet
  • The Journal of Physical Chemistry C, Vol. 117, Issue 24
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Comparison of porous and nonporous materials for methane storage
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Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
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  • Nature, Vol. 495, Issue 7439, p. 80-84
  • DOI: 10.1038/nature11893

A Rigid Nested Metal-Organic Framework Featuring a Thermoresponsive Gating Effect Dominated by Counterions
journal, October 2016

  • Gao, Qiang; Xu, Jian; Cao, Dapeng
  • Angewandte Chemie International Edition, Vol. 55, Issue 48
  • DOI: 10.1002/anie.201608250

Guest Transport in a Nonporous Organic Solid via Dynamic van der Waals Cooperativity
journal, November 2002


Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage
journal, January 2010

  • Zhao, Dan; Yuan, Daqiang; Krishna, Rajamani
  • Chemical Communications, Vol. 46, Issue 39
  • DOI: 10.1039/c0cc02771e

Hydrogen Sieving and Storage in Fullerene Intercalated Graphite
journal, January 2007

  • Kuc, Agnieszka; Zhechkov, Lyuben; Patchkovskii, Serguei
  • Nano Letters, Vol. 7, Issue 1
  • DOI: 10.1021/nl0619148

Negative thermal expansion: a review
journal, July 2009


Thermodynamics of mixed-gas adsorption
journal, January 1965


On the inner workings of Monte Carlo codes
journal, December 2013


First principles derived, transferable force fields for CO2 adsorption in Na-exchanged cationic zeolites
journal, January 2013

  • Fang, Hanjun; Kamakoti, Preeti; Ravikovitch, Peter I.
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 31
  • DOI: 10.1039/c3cp52246f

Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure
journal, May 2009

  • Ma, Shengqian; Sun, Daofeng; Yuan, Daqiang
  • Journal of the American Chemical Society, Vol. 131, Issue 18
  • DOI: 10.1021/ja808896f

Hydrogen storage in Pd nanocrystals covered with a metal–organic framework
journal, July 2014

  • Li, Guangqin; Kobayashi, Hirokazu; Taylor, Jared M.
  • Nature Materials, Vol. 13, Issue 8
  • DOI: 10.1038/nmat4030

Molecular sieve sensors for selective detection at the nanogram level
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Crystalline Zeolites. I. The Properties of a New Synthetic Zeolite, Type A
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Selective gas adsorption and separation in metal–organic frameworks
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Internal Energy Effects in Mass Spectrometry
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Data from: Temperature-regulated guest admission and release in microporous materials
dataset, June 2017

  • Li, Gang Kevin; Shang, Jin; Gu, Qinfen
  • Dryad Digital Repository-Supplementary information for journal article at DOI: 10.1038/ncomms15777, 3 CIF files
  • DOI: 10.5061/dryad.2426m

Dynamic Photo-Switching in Metal-Organic Frameworks as a Route to Low-Energy Carbon Dioxide Capture and Release
journal, February 2013

  • Lyndon, Richelle; Konstas, Kristina; Ladewig, Bradley P.
  • Angewandte Chemie International Edition, Vol. 52, Issue 13
  • DOI: 10.1002/anie.201206359

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


Crystalline molecular sieves
journal, December 1964

  • Breck, D. W.
  • Journal of Chemical Education, Vol. 41, Issue 12
  • DOI: 10.1021/ed041p678

Adsorption equilibria and kinetics of CH4 and N2 on commercial zeolites and carbons
journal, November 2016


Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases
journal, October 2012

  • Lozinska, Magdalena M.; Mangano, Enzo; Mowat, John P. S.
  • Journal of the American Chemical Society, Vol. 134, Issue 42
  • DOI: 10.1021/ja3070864

Determination of the thermal energy and its distribution in peptides
journal, April 1999


A titanosilicate molecular sieve with adjustable pores for size-selective adsorption of molecules
journal, August 2001

  • Kuznicki, Steven M.; Bell, Valerie A.; Nair, Sankar
  • Nature, Vol. 412, Issue 6848
  • DOI: 10.1038/35089052

Binary Adsorption Equilibrium of Carbon Dioxide and Water Vapor on Activated Alumina
journal, September 2009

  • Li, Gang; Xiao, Penny; Webley, Paul
  • Langmuir, Vol. 25, Issue 18
  • DOI: 10.1021/la901107s

    Works referencing / citing this record:

    Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage
    journal, January 2010

    • Zhao, Dan; Yuan, Daqiang; Krishna, Rajamani
    • Chemical Communications, Vol. 46, Issue 39
    • DOI: 10.1039/c0cc02771e

    Hydrogen Sieving and Storage in Fullerene Intercalated Graphite
    journal, January 2007

    • Kuc, Agnieszka; Zhechkov, Lyuben; Patchkovskii, Serguei
    • Nano Letters, Vol. 7, Issue 1
    • DOI: 10.1021/nl0619148

    Crystalline molecular sieves
    journal, December 1964

    • Breck, D. W.
    • Journal of Chemical Education, Vol. 41, Issue 12
    • DOI: 10.1021/ed041p678

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


    A titanosilicate molecular sieve with adjustable pores for size-selective adsorption of molecules
    journal, August 2001

    • Kuznicki, Steven M.; Bell, Valerie A.; Nair, Sankar
    • Nature, Vol. 412, Issue 6848
    • DOI: 10.1038/35089052

    Adsorption and Separation of CO 2 on KFI Zeolites: Effect of Cation Type and Si/Al Ratio on Equilibrium and Kinetic Properties
    journal, April 2013

    • Remy, Tom; Peter, Sunil A.; Van Tendeloo, Leen
    • Langmuir, Vol. 29, Issue 16
    • DOI: 10.1021/la400352r

    Design and control of gas diffusion process in a nanoporous soft crystal
    journal, January 2019


    Binary Adsorption Equilibrium of Carbon Dioxide and Water Vapor on Activated Alumina
    journal, September 2009

    • Li, Gang; Xiao, Penny; Webley, Paul
    • Langmuir, Vol. 25, Issue 18
    • DOI: 10.1021/la901107s

    Crystalline Zeolites. I. The Properties of a New Synthetic Zeolite, Type A
    journal, December 1956

    • Breck, D. W.; Eversole, W. G.; Milton, R. M.
    • Journal of the American Chemical Society, Vol. 78, Issue 23
    • DOI: 10.1021/ja01604a001

    Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels
    journal, May 2013


    Cation Gating and Relocation during the Highly Selective “Trapdoor” Adsorption of CO 2 on Univalent Cation Forms of Zeolite Rho
    journal, March 2014

    • Lozinska, Magdalena M.; Mowat, John P. S.; Wright, Paul A.
    • Chemistry of Materials, Vol. 26, Issue 6
    • DOI: 10.1021/cm404028f

    Temperature-triggered gate opening for gas adsorption in microporous manganese formate
    journal, January 2008

    • Kim, Hyunuk; Samsonenko, Denis G.; Yoon, Minyoung
    • Chemical Communications, Issue 39
    • DOI: 10.1039/b811087e

    On the inner workings of Monte Carlo codes
    journal, December 2013


    Unconventional, Highly Selective CO 2 Adsorption in Zeolite SSZ-13
    journal, January 2012

    • Hudson, Matthew R.; Queen, Wendy L.; Mason, Jarad A.
    • Journal of the American Chemical Society, Vol. 134, Issue 4
    • DOI: 10.1021/ja210580b

    An extended Langmuir model for adsorption of gas mixtures on heterogeneous surfaces
    journal, March 1990


    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

    Site-Specific CO2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network
    journal, December 2011

    • Queen, Wendy L.; Brown, Craig M.; Britt, David K.
    • The Journal of Physical Chemistry C, Vol. 115, Issue 50, p. 24915-24919
    • DOI: 10.1021/jp208529p

    Novel low energy hydrogen–deuterium isotope breakthrough separation using a trapdoor zeolite
    journal, March 2016

    • Physick, Andrew J. W.; Wales, Dominic J.; Owens, Simon H. R.
    • Chemical Engineering Journal, Vol. 288
    • DOI: 10.1016/j.cej.2015.11.040

    Ordered porous materials for emerging applications
    journal, June 2002


    A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
    journal, April 2010

    • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
    • The Journal of Chemical Physics, Vol. 132, Issue 15
    • DOI: 10.1063/1.3382344

    Identification of High-CO 2 -Capacity Cationic Zeolites by Accurate Computational Screening
    journal, May 2016


    A Mesh-Adjustable Molecular Sieve for General Use in Gas Separation
    journal, March 2007

    • Ma, Shengqian; Sun, Daofeng; Wang, Xi-Sen
    • Angewandte Chemie International Edition, Vol. 46, Issue 14
    • DOI: 10.1002/anie.200604353

    Robust dynamics
    journal, May 2010

    • Deng, Hexiang; Olson, Mark A.; Stoddart, J. Fraser
    • Nature Chemistry, Vol. 2, Issue 6, p. 439-443
    • DOI: 10.1038/nchem.654

    Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases
    journal, October 2012

    • Lozinska, Magdalena M.; Mangano, Enzo; Mowat, John P. S.
    • Journal of the American Chemical Society, Vol. 134, Issue 42
    • DOI: 10.1021/ja3070864

    Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework
    journal, May 2008

    • Zhang, Jie-Peng; Chen, Xiao-Ming
    • Journal of the American Chemical Society, Vol. 130, Issue 18, p. 6010-6017
    • DOI: 10.1021/ja800550a

    A Rigid Nested Metal-Organic Framework Featuring a Thermoresponsive Gating Effect Dominated by Counterions
    journal, October 2016

    • Gao, Qiang; Xu, Jian; Cao, Dapeng
    • Angewandte Chemie International Edition, Vol. 55, Issue 48
    • DOI: 10.1002/anie.201608250

    Adsorption equilibria and kinetics of CH4 and N2 on commercial zeolites and carbons
    journal, November 2016


    Determination of Composition Range for “Molecular Trapdoor” Effect in Chabazite Zeolite
    journal, June 2013

    • Shang, Jin; Li, Gang; Singh, Ranjeet
    • The Journal of Physical Chemistry C, Vol. 117, Issue 24
    • DOI: 10.1021/jp4015146

    Data from: Temperature-regulated guest admission and release in microporous materials
    dataset, June 2017

    • Li, Gang Kevin; Shang, Jin; Gu, Qinfen
    • Dryad Digital Repository-Supplementary information for journal article at DOI: 10.1038/ncomms15777, 3 CIF files
    • DOI: 10.5061/dryad.2426m

    A Study of Heat-Treatment Induced Framework Contraction in Strontium-ETS-4 by Powder Neutron Diffraction and Vibrational Spectroscopy
    journal, December 2001

    • Nair, Sankar; Tsapatsis, Michael; Toby, Brian H.
    • Journal of the American Chemical Society, Vol. 123, Issue 51
    • DOI: 10.1021/ja011703z

    Preparation and Gas Adsorption Studies of Three Mesh-Adjustable Molecular Sieves with a Common Structure
    journal, May 2009

    • Ma, Shengqian; Sun, Daofeng; Yuan, Daqiang
    • Journal of the American Chemical Society, Vol. 131, Issue 18
    • DOI: 10.1021/ja808896f

    Molecular sieve sensors for selective detection at the nanogram level
    journal, September 1989

    • Bein, Thomas; Brown, Kelly; Frye, Gregory C.
    • Journal of the American Chemical Society, Vol. 111, Issue 19
    • DOI: 10.1021/ja00201a069

    Synthesis Strategies for Preparing Useful Small Pore Zeolites and Zeotypes for Gas Separations and Catalysis
    journal, July 2013

    • Moliner, Manuel; Martínez, Cristina; Corma, Avelino
    • Chemistry of Materials, Vol. 26, Issue 1
    • DOI: 10.1021/cm4015095

    Guest Transport in a Nonporous Organic Solid via Dynamic van der Waals Cooperativity
    journal, November 2002


    Thermodynamics of mixed-gas adsorption
    journal, January 1965


    Negative thermal expansion: a review
    journal, July 2009


    Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
    journal, February 2013

    • Nugent, Patrick; Belmabkhout, Youssef; Burd, Stephen D.
    • Nature, Vol. 495, Issue 7439, p. 80-84
    • DOI: 10.1038/nature11893

    First principles derived, transferable force fields for CO2 adsorption in Na-exchanged cationic zeolites
    journal, January 2013

    • Fang, Hanjun; Kamakoti, Preeti; Ravikovitch, Peter I.
    • Physical Chemistry Chemical Physics, Vol. 15, Issue 31
    • DOI: 10.1039/c3cp52246f

    Trapdoors in zeolites
    journal, January 2013

    • De Baerdemaeker, Trees; De Vos, Dirk
    • Nature Chemistry, Vol. 5, Issue 2
    • DOI: 10.1038/nchem.1560

    Dynamic Photo-Switching in Metal-Organic Frameworks as a Route to Low-Energy Carbon Dioxide Capture and Release
    journal, February 2013

    • Lyndon, Richelle; Konstas, Kristina; Ladewig, Bradley P.
    • Angewandte Chemie International Edition, Vol. 52, Issue 13
    • DOI: 10.1002/anie.201206359

    Hydrogen storage in Pd nanocrystals covered with a metal–organic framework
    journal, July 2014

    • Li, Guangqin; Kobayashi, Hirokazu; Taylor, Jared M.
    • Nature Materials, Vol. 13, Issue 8
    • DOI: 10.1038/nmat4030

    Discriminative Separation of Gases by a “Molecular Trapdoor” Mechanism in Chabazite Zeolites
    journal, November 2012

    • Shang, Jin; Li, Gang; Singh, Ranjeet
    • Journal of the American Chemical Society, Vol. 134, Issue 46
    • DOI: 10.1021/ja309274y

    Hydrogen storage in metal–organic frameworks
    journal, January 2009

    • Murray, Leslie J.; Dincă, Mircea; Long, Jeffrey R.
    • Chemical Society Reviews, Vol. 38, Issue 5, p. 1294-1314
    • DOI: 10.1039/b802256a