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

Title: Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks

Abstract

Cooperative adsorption of gases by porous frameworks, which permits more efficient uptake and removal than the more usual noncooperative (Langmuir-type) adsorption, usually results from a phase transition of the framework. Here in this paper, we show how cooperativity emerges in the class of metal-organic frameworks mmen-M 2(dobpdc) in the absence of a phase transition. Our study provides a microscopic understanding of the emergent features of cooperative binding, including the position, slope, and height of the isotherm step, and indicates how to optimize gas storage and separation in these materials.

Authors:
 [1];  [2];  [3];  [4];  [5];  [5]
+ Show Author Affiliations
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Duke Univ., Durham, NC (United States)
  2. Univ. Federal Fluminense, Niterói, RJ (Brazil). Inst. de Física and National Inst. of Science and Technology for Complex Systems
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States). Kavli Energy Nanosciences Inst.at Berkeley
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1601183
Alternate Identifier(s):
OSTI ID: 1458801
Grant/Contract Number:  
[AC02-05CH11231; SC0001015]
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
[ Journal Volume: 121; Journal Issue: 1]; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Kundu, Joyjit, Stilck, Jürgen F, Lee, Jung-Hoon, Neaton, Jeffrey B, Prendergast, David, and Whitelam, Stephen. Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks. United States: N. p., 2018. Web. doi:10.1103/physrevlett.121.015701.
Copy to clipboard
Kundu, Joyjit, Stilck, Jürgen F, Lee, Jung-Hoon, Neaton, Jeffrey B, Prendergast, David, & Whitelam, Stephen. Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks. United States. doi:10.1103/physrevlett.121.015701.
Copy to clipboard
Kundu, Joyjit, Stilck, Jürgen F, Lee, Jung-Hoon, Neaton, Jeffrey B, Prendergast, David, and Whitelam, Stephen. Tue . "Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks". United States. doi:10.1103/physrevlett.121.015701. https://www.osti.gov/servlets/purl/1601183.
Copy to clipboard
@article{osti_1601183,
title = {Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks},
author = {Kundu, Joyjit and Stilck, Jürgen F and Lee, Jung-Hoon and Neaton, Jeffrey B and Prendergast, David and Whitelam, Stephen},
abstractNote = {Cooperative adsorption of gases by porous frameworks, which permits more efficient uptake and removal than the more usual noncooperative (Langmuir-type) adsorption, usually results from a phase transition of the framework. Here in this paper, we show how cooperativity emerges in the class of metal-organic frameworks mmen-M2(dobpdc) in the absence of a phase transition. Our study provides a microscopic understanding of the emergent features of cooperative binding, including the position, slope, and height of the isotherm step, and indicates how to optimize gas storage and separation in these materials.},
doi = {10.1103/physrevlett.121.015701},
journal = {Physical Review Letters},
number = [1],
volume = [121],
place = {United States},
year = {2018},
month = {7}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI:  10.1103/physrevlett.121.015701
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites
journal, November 2009

  • Britt, D.; Furukawa, H.; Wang, B.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 49, p. 20637-20640
  • DOI: 10.1073/pnas.0909718106

Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M 2 (dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
journal, January 2014

  • Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.
  • Chem. Sci., Vol. 5, Issue 12
  • DOI: 10.1039/C4SC02064B

Carbon Dioxide Capture in Metal–Organic Frameworks
journal, September 2011

  • Sumida, Kenji; Rogow, David L.; Mason, Jarad A.
  • Chemical Reviews, Vol. 112, Issue 2, p. 724-781
  • DOI: 10.1021/cr2003272

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

Design and synthesis of an exceptionally stable and highly porous metal-organic framework
journal, November 1999

  • Li, Hailian; Eddaoudi, Mohamed; M., O'Keeffe
  • Nature, Vol. 402, Issue 6759, p. 276-279
  • DOI: 10.1038/46248

Hydrogen Storage in Microporous Metal-Organic Frameworks
journal, May 2003

  • Rosi, Nathaniel L.; Eckert, Juergen; Eddaoudi, Mohamed
  • Science, Vol. 300, Issue 5622, p. 1127-1129
  • DOI: 10.1126/science.1083440

Diffusion of Small Molecules in Metal Organic Framework Materials
journal, January 2013

Selective gas capture via kinetic trapping
journal, January 2016

  • Kundu, Joyjit; Pascal, Tod; Prendergast, David
  • Phys. Chem. Chem. Phys., Vol. 18, Issue 31
  • DOI: 10.1039/C6CP03940E

Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores
journal, August 2008

  • Caskey, Stephen R.; Wong-Foy, Antek G.; Matzger, Adam J.
  • Journal of the American Chemical Society, Vol. 130, Issue 33, p. 10870-10871
  • DOI: 10.1021/ja8036096

Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions
journal, January 2012

  • Xiang, Shengchang; He, Yabing; Zhang, Zhangjing
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1956

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

Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications
journal, July 2009

  • Furukawa, Hiroyasu; Yaghi, Omar M.
  • Journal of the American Chemical Society, Vol. 131, Issue 25, p. 8875-8883
  • DOI: 10.1021/ja9015765

Multiple Functional Groups of Varying Ratios in Metal-Organic Frameworks
journal, February 2010

A spin transition mechanism for cooperative adsorption in metal–organic frameworks
journal, September 2017

  • Reed, Douglas A.; Keitz, Benjamin K.; Oktawiec, Julia
  • Nature, Vol. 550, Issue 7674
  • DOI: 10.1038/nature23674

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

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

An Explanation for the Very Large Breathing Effect of a Metal–Organic Framework during CO2 Adsorption
journal, September 2007

A Review on Breathing Behaviors of Metal-Organic-Frameworks (MOFs) for Gas Adsorption
journal, April 2014

  • Alhamami, Mays; Doan, Huu; Cheng, Chil-Hung
  • Materials, Vol. 7, Issue 4
  • DOI: 10.3390/ma7043198

Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal–organic framework
journal, January 2012

  • Yang, Wenbin; Davies, Andrew J.; Lin, Xiang
  • Chemical Science, Vol. 3, Issue 10
  • DOI: 10.1039/c2sc20443f

Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties
journal, January 2017

  • Simon, Cory M.; Braun, Efrem; Carraro, Carlo
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 3
  • DOI: 10.1073/pnas.1613874114

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks
journal, October 2008

  • Coudert, François-Xavier; Jeffroy, Marie; Fuchs, Alain H.
  • Journal of the American Chemical Society, Vol. 130, Issue 43
  • DOI: 10.1021/ja805129c

Mechanism of Breathing Transitions in Metal–Organic Frameworks
journal, July 2011

  • Triguero, Carles; Coudert, François-Xavier; Boutin, Anne
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 16
  • DOI: 10.1021/jz2008769

Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures
journal, May 2013

  • Bousquet, David; Coudert, François-Xavier; Fossati, Alexandre G. J.
  • The Journal of Chemical Physics, Vol. 138, Issue 17
  • DOI: 10.1063/1.4802888

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
journal, May 2013

  • Ghysels, An; Vanduyfhuys, Louis; Vandichel, Matthias
  • The Journal of Physical Chemistry C, Vol. 117, Issue 22
  • DOI: 10.1021/jp311601q

Exact matrix treatment of an osmotic ensemble model of adsorption and pressure induced structural transitions in metal organic frameworks
journal, January 2016

  • Dunne, Lawrence J.; Manos, George
  • Dalton Transactions, Vol. 45, Issue 10
  • DOI: 10.1039/C5DT03248B

A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules
journal, September 2009

  • Seo, Joobeom; Matsuda, Ryotaro; Sakamoto, Hirotoshi
  • Journal of the American Chemical Society, Vol. 131, Issue 35
  • DOI: 10.1021/ja904363b

CO 2 induced phase transitions in diamine-appended metal–organic frameworks
journal, January 2015

  • Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.
  • Chemical Science, Vol. 6, Issue 9
  • DOI: 10.1039/C5SC01828E

Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO 2 , N 2 , and H 2 O
journal, April 2015

  • Mason, Jarad A.; McDonald, Thomas M.; Bae, Tae-Hyun
  • Journal of the American Chemical Society, Vol. 137, Issue 14
  • DOI: 10.1021/jacs.5b00838

Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal–Organic Framework
journal, October 2017

  • Martell, Jeffrey D.; Porter-Zasada, Leo B.; Forse, Alexander C.
  • Journal of the American Chemical Society, Vol. 139, Issue 44
  • DOI: 10.1021/jacs.7b09983

Equilibrium polymerization in one dimension: Exact solution by transfer matrix and renormalization group
journal, April 1983

Polydisperse chains placed on a one-dimensional lattice
journal, August 2006

  • Stilck, Jürgen F.; Neto, Minos A.; Dantas, Wellington Gomes
  • Physica A: Statistical Mechanics and its Applications, Vol. 368, Issue 2
  • DOI: 10.1016/j.physa.2005.12.025
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: