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

Title: Ab initio molecular dynamics determination of competitive O 2 vs. N 2 adsorption at open metal sites of M 2 (dobdc)

Abstract

The separation of oxygen from nitrogen using metal–organic frameworks (MOFs) is of great interest for potential pressure-swing adsorption processes for the generation of purified O 2 on industrial scales. This study uses ab initio molecular dynamics (AIMD) simulations to examine for the first time the pure-gas and competitive gas adsorption of O 2 and N 2 in the M 2(dobdc) (M = Cr, Mn, Fe) MOF series with coordinatively unsaturated metal centers. Effects of metal, temperature, and gas composition are explored. Lastly, this unique application of AIMD allows us to study in detail the adsorption/desorption processes and to visualize the process of multiple guests competitively binding to coordinatively unsaturated metal sites of a MOF.

Authors:
 [1];  [1];  [1];  [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1335666
Report Number(s):
SAND2016-9211J
Journal ID: ISSN 1463-9076; PPCPFQ; 649558
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 18; Journal Issue: 16; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Parkes, Marie V., Greathouse, Jeffery A., Hart, David B., Sava Gallis, Dorina F., and Nenoff, Tina M. Ab initio molecular dynamics determination of competitive O2 vs. N2 adsorption at open metal sites of M2 (dobdc). United States: N. p., 2016. Web. doi:10.1039/c6cp00768f.
Parkes, Marie V., Greathouse, Jeffery A., Hart, David B., Sava Gallis, Dorina F., & Nenoff, Tina M. Ab initio molecular dynamics determination of competitive O2 vs. N2 adsorption at open metal sites of M2 (dobdc). United States. doi:10.1039/c6cp00768f.
Parkes, Marie V., Greathouse, Jeffery A., Hart, David B., Sava Gallis, Dorina F., and Nenoff, Tina M. Mon . "Ab initio molecular dynamics determination of competitive O2 vs. N2 adsorption at open metal sites of M2 (dobdc)". United States. doi:10.1039/c6cp00768f. https://www.osti.gov/servlets/purl/1335666.
@article{osti_1335666,
title = {Ab initio molecular dynamics determination of competitive O2 vs. N2 adsorption at open metal sites of M2 (dobdc)},
author = {Parkes, Marie V. and Greathouse, Jeffery A. and Hart, David B. and Sava Gallis, Dorina F. and Nenoff, Tina M.},
abstractNote = {The separation of oxygen from nitrogen using metal–organic frameworks (MOFs) is of great interest for potential pressure-swing adsorption processes for the generation of purified O2 on industrial scales. This study uses ab initio molecular dynamics (AIMD) simulations to examine for the first time the pure-gas and competitive gas adsorption of O2 and N2 in the M2(dobdc) (M = Cr, Mn, Fe) MOF series with coordinatively unsaturated metal centers. Effects of metal, temperature, and gas composition are explored. Lastly, this unique application of AIMD allows us to study in detail the adsorption/desorption processes and to visualize the process of multiple guests competitively binding to coordinatively unsaturated metal sites of a MOF.},
doi = {10.1039/c6cp00768f},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 16,
volume = 18,
place = {United States},
year = {2016},
month = {4}
}

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

Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Competitive I 2 Sorption by Cu-BTC from Humid Gas Streams
journal, June 2013

  • Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.
  • Chemistry of Materials, Vol. 25, Issue 13
  • DOI: 10.1021/cm401762g

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


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

A porous metal–organic framework formed by a V-shaped ligand and Zn( ii ) ion with highly selective sensing for nitroaromatic explosives
journal, January 2015

  • He, Hongming; Song, Yang; Sun, Fuxing
  • Journal of Materials Chemistry A, Vol. 3, Issue 32
  • DOI: 10.1039/C5TA03537F

Hydrogen Storage in Metal–Organic Frameworks
journal, September 2011

  • Suh, Myunghyun Paik; Park, Hye Jeong; Prasad, Thazhe Kootteri
  • Chemical Reviews, Vol. 112, Issue 2, p. 782-835
  • DOI: 10.1021/cr200274s

Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)
journal, August 2014

  • Haigis, Volker; Belkhodja, Yacine; Coudert, François-Xavier
  • The Journal of Chemical Physics, Vol. 141, Issue 6
  • DOI: 10.1063/1.4891578

Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH 4 and CO 2 in ZIF-8
journal, July 2012

  • Haldoupis, Emmanuel; Watanabe, Taku; Nair, Sankar
  • ChemPhysChem, Vol. 13, Issue 15
  • DOI: 10.1002/cphc.201200529

Li-decorated metal organic framework 5: A route to achieving a suitable hydrogen storage medium
journal, December 2007

  • Blomqvist, A.; Araujo, C. M.; Srepusharawoot, P.
  • Proceedings of the National Academy of Sciences, Vol. 104, Issue 51
  • DOI: 10.1073/pnas.0708603104

Enhanced O 2 Selectivity versus N 2 by Partial Metal Substitution in Cu-BTC
journal, March 2015

  • Sava Gallis, Dorina F.; Parkes, Marie V.; Greathouse, Jeffery A.
  • Chemistry of Materials, Vol. 27, Issue 6
  • DOI: 10.1021/cm5042293

Projector augmented-wave method
journal, December 1994


Gas Membrane Selectivity Enabled by Zeolitic Imidazolate Framework Electrostatics
journal, June 2014

  • Ray, Keith G.; Olmsted, David L.; Burton, Jessica M. R.
  • Chemistry of Materials, Vol. 26, Issue 13
  • DOI: 10.1021/cm5015477

Predicting Methane Storage in Open-Metal-Site Metal–Organic Frameworks
journal, June 2015

  • Koh, Hyun Seung; Rana, Malay Kumar; Wong-Foy, Antek G.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 24
  • DOI: 10.1021/acs.jpcc.5b02768

Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
journal, March 2012


Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology
journal, January 2013

  • Parkes, Marie V.; Staiger, Chad L.; Perry IV, John J.
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 23
  • DOI: 10.1039/c3cp50774b

Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N 2 and CH 4
journal, December 2013

  • Lee, Kyuho; Isley, William C.; Dzubak, Allison L.
  • Journal of the American Chemical Society, Vol. 136, Issue 2
  • DOI: 10.1021/ja4102979

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

Metal–organic framework materials as catalysts
journal, January 2009

  • Lee, JeongYong; Farha, Omar K.; Roberts, John
  • Chemical Society Reviews, Vol. 38, Issue 5, p. 1450-1459
  • DOI: 10.1039/b807080f

Catalysis by metal–organic frameworks in water
journal, January 2014

  • Dhakshinamoorthy, Amarajothi; Asiri, Abdullah M.; Garcia, Hermenegildo
  • Chem. Commun., Vol. 50, Issue 85
  • DOI: 10.1039/C4CC04387A

Rational Design, Synthesis, Purification, and Activation of Metal−Organic Framework Materials
journal, August 2010

  • Farha, Omar K.; Hupp, Joseph T.
  • Accounts of Chemical Research, Vol. 43, Issue 8, p. 1166-1175
  • DOI: 10.1021/ar1000617

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Hydrogen adsorption in a nickel based coordination polymer with open metal sites in the cylindrical cavities of the desolvated framework
journal, January 2006

  • Dietzel, Pascal D. C.; Panella, Barbara; Hirscher, Michael
  • Chemical Communications, Issue 9
  • DOI: 10.1039/b515434k

Energy Efficiency of Oxygen Enriched Air Production Technologies: Cryogeny vs Membranes
journal, January 2014


An In Situ High-Temperature Single-Crystal Investigation of a Dehydrated Metal-Organic Framework Compound and Field-Induced Magnetization of One-Dimensional Metal-Oxygen Chains
journal, October 2005

  • Dietzel, Pascal D. C.; Morita, Yusuke; Blom, Richard
  • Angewandte Chemie International Edition, Vol. 44, Issue 39, p. 6354-6358
  • DOI: 10.1002/anie.200501508

Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Powder Diffraction Experiments
journal, June 2013

  • Chen, Linjiang; Mowat, John P. S.; Fairen-Jimenez, David
  • Journal of the American Chemical Society, Vol. 135, Issue 42
  • DOI: 10.1021/ja403453g

Small-Molecule Adsorption in Open-Site Metal–Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design
journal, January 2015

  • Lee, Kyuho; Howe, Joshua D.; Lin, Li-Chiang
  • Chemistry of Materials, Vol. 27, Issue 3, p. 668-678
  • DOI: 10.1021/cm502760q

Thermodynamic and Economic Aspects of the Hard Coal Based Oxyfuel Cycle
journal, April 2005

  • Rodewald, Andreas; Kather, Alfons; Frie, Sebastian
  • International Journal of Green Energy, Vol. 2, Issue 2
  • DOI: 10.1081/GE-200058977

Investigation of structure and dynamics of the hydrated metal–organic framework MIL-53(Cr) using first-principles molecular dynamics
journal, January 2013

  • Haigis, Volker; Coudert, François-Xavier; Vuilleumier, Rodolphe
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 43
  • DOI: 10.1039/c3cp53126k

A Dynamic Model of a Pressure Swing Oxygen Generation System
journal, June 1985

  • Beaman, J. J.
  • Journal of Dynamic Systems, Measurement, and Control, Vol. 107, Issue 2
  • DOI: 10.1115/1.3149681

Selective Binding of O 2 over N 2 in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites
journal, September 2011

  • Bloch, Eric D.; Murray, Leslie J.; Queen, Wendy L.
  • Journal of the American Chemical Society, Vol. 133, Issue 37
  • DOI: 10.1021/ja205976v

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995


Air separation and liquefaction: recent developments and prospects for the beginning of the new millennium
journal, January 2002


Density Functional Methods for Fast Screening of Metal–Organic Frameworks for Hydrogen Storage
journal, February 2015

  • Fu, Jia; Liu, Yu; Tian, Yun
  • The Journal of Physical Chemistry C, Vol. 119, Issue 10
  • DOI: 10.1021/jp505963m

Ab Initio Derived Force Fields for Predicting CO 2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu)
journal, June 2015

  • Haldoupis, Emmanuel; Borycz, Joshua; Shi, Huiliang
  • The Journal of Physical Chemistry C, Vol. 119, Issue 28
  • DOI: 10.1021/acs.jpcc.5b03700

Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst
journal, October 2013

  • Mattioli, Giuseppe; Giannozzi, Paolo; Amore Bonapasta, Aldo
  • Journal of the American Chemical Society, Vol. 135, Issue 41
  • DOI: 10.1021/ja401797v

A parametric study of a PSA process for pre-combustion CO2 capture
journal, February 2013


Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks
journal, August 2011

  • Li, Jian-Rong; Ma, Yuguang; McCarthy, M. Colin
  • Coordination Chemistry Reviews, Vol. 255, Issue 15-16
  • DOI: 10.1016/j.ccr.2011.02.012

CO 2 Capture by Metal–Organic Frameworks with van der Waals Density Functionals
journal, May 2012

  • Poloni, Roberta; Smit, Berend; Neaton, Jeffrey B.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 20
  • DOI: 10.1021/jp302190v

Studies on Metal–Organic Frameworks of Cu(II) with Isophthalate Linkers for Hydrogen Storage
journal, October 2013

  • Yan, Yong; Yang, Sihai; Blake, Alexander J.
  • Accounts of Chemical Research, Vol. 47, Issue 2
  • DOI: 10.1021/ar400049h

Water Cluster Confinement and Methane Adsorption in the Hydrophobic Cavities of a Fluorinated Metal–Organic Framework
journal, August 2013

  • Nijem, Nour; Canepa, Pieremanuele; Kaipa, Ushasree
  • Journal of the American Chemical Society, Vol. 135, Issue 34
  • DOI: 10.1021/ja400754p

Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation
journal, January 2015

  • Zhang, Yiming; Li, Baiyan; Krishna, Rajamani
  • Chemical Communications, Vol. 51, Issue 13
  • DOI: 10.1039/C4CC09774B

Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks
journal, April 2015

  • Odoh, Samuel O.; Cramer, Christopher J.; Truhlar, Donald G.
  • Chemical Reviews, Vol. 115, Issue 12
  • DOI: 10.1021/cr500551h

Effect of Metal in M 3 (btc) 2 and M 2 (dobdc) MOFs for O 2 /N 2 Separations: A Combined Density Functional Theory and Experimental Study
journal, March 2015

  • Parkes, Marie V.; Sava Gallis, Dorina F.; Greathouse, Jeffery A.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 12
  • DOI: 10.1021/jp511789g

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

Base-Induced Formation of Two Magnesium Metal-Organic Framework Compounds with a Bifunctional Tetratopic Ligand
journal, August 2008

  • Dietzel, Pascal D. C.; Blom, Richard; Fjellvåg, Helmer
  • European Journal of Inorganic Chemistry, Vol. 2008, Issue 23
  • DOI: 10.1002/ejic.200701284

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
journal, February 1997


Free energy barriers for CO 2 and N 2 in zeolite NaKA: an ab initio molecular dynamics approach
journal, January 2014

  • Mace, Amber; Laasonen, Kari; Laaksonen, Aatto
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 1
  • DOI: 10.1039/C3CP52821A

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8
journal, August 2014


Highly-Selective and Reversible O2 Binding in Cr3(1,3,5-benzenetricarboxylate)2
journal, June 2010

  • Murray, Leslie J.; Dinca, Mircea; Yano, Junko
  • Journal of the American Chemical Society, Vol. 132, Issue 23, p. 7856-7857
  • DOI: 10.1021/ja1027925

H 2 O Adsorption/Desorption in MOF-74: Ab Initio Molecular Dynamics and Experiments
journal, May 2015

  • Li, Yunsong; Wang, Xinjiang; Xu, Dongyan
  • The Journal of Physical Chemistry C, Vol. 119, Issue 23
  • DOI: 10.1021/acs.jpcc.5b02069

Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study
journal, November 2013


A Multiscale Study of MOFs as Adsorbents in H 2 PSA Purification
journal, July 2013

  • Banu, Ana-Maria; Friedrich, Daniel; Brandani, Stefano
  • Industrial & Engineering Chemistry Research, Vol. 52, Issue 29
  • DOI: 10.1021/ie4011035

An amine-functionalized metal–organic framework as a sensing platform for DNA detection
journal, January 2014

  • Zhang, Hao-Tian; Zhang, Jian-Wei; Huang, Gang
  • Chem. Commun., Vol. 50, Issue 81
  • DOI: 10.1039/C4CC05571C

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


High gas storage capacities and stepwise adsorption in a UiO type metal–organic framework incorporating Lewis basic bipyridyl sites
journal, January 2014

  • Li, Liangjun; Tang, Sifu; Wang, Chao
  • Chemical Communications, Vol. 50, Issue 18
  • DOI: 10.1039/c3cc48275h

Structural Changes and Coordinatively Unsaturated Metal Atoms on Dehydration of Honeycomb Analogous Microporous Metal–Organic Frameworks
journal, March 2008

  • Dietzel, Pascal D. C.; Johnsen, Rune E.; Blom, Richard
  • Chemistry - A European Journal, Vol. 14, Issue 8
  • DOI: 10.1002/chem.200701370

Water Adsorption in Flexible Gallium-Based MIL-53 Metal–Organic Framework
journal, March 2014

  • Coudert, François-Xavier; Ortiz, Aurélie U.; Haigis, Volker
  • The Journal of Physical Chemistry C, Vol. 118, Issue 10
  • DOI: 10.1021/jp412433a

Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations
journal, August 2012

  • Chen, Linjiang; Morrison, Carole A.; Düren, Tina
  • The Journal of Physical Chemistry C, Vol. 116, Issue 35
  • DOI: 10.1021/jp3062527

Predicting Low-Pressure O 2 Adsorption in Nanoporous Framework Materials for Sensing Applications
journal, October 2013

  • Zeitler, Todd R.; Van Heest, Timothy; Sholl, David S.
  • ChemPhysChem, Vol. 14, Issue 16
  • DOI: 10.1002/cphc.201300682

A highly robust metal–organic framework based on an aromatic 12-carboxyl ligand with highly selective adsorption of CO 2 over CH 4
journal, January 2015

  • He, Hongming; Song, Yang; Zhang, Chuanqi
  • Chemical Communications, Vol. 51, Issue 46
  • DOI: 10.1039/C5CC01281C

Comparing van der Waals Density Functionals for CO 2 Adsorption in Metal Organic Frameworks
journal, August 2012

  • Rana, Malay Kumar; Koh, Hyun Seung; Hwang, Jinhyung
  • The Journal of Physical Chemistry C, Vol. 116, Issue 32
  • DOI: 10.1021/jp3051164

Engineering Metal Organic Frameworks for Heterogeneous Catalysis
journal, August 2010

  • Corma, A.; García, H.; Llabrés i Xamena, F. X.
  • Chemical Reviews, Vol. 110, Issue 8, p. 4606-4655
  • DOI: 10.1021/cr9003924

Porous Metal–Organic Frameworks for Heterogeneous Biomimetic Catalysis
journal, February 2014

  • Zhao, Min; Ou, Sha; Wu, Chuan-De
  • Accounts of Chemical Research, Vol. 47, Issue 4, p. 1199-1207
  • DOI: 10.1021/ar400265x

Metal–Organic Frameworks for Separations
journal, September 2011

  • Li, Jian-Rong; Sculley, Julian; Zhou, Hong-Cai
  • Chemical Reviews, Vol. 112, Issue 2, p. 869-932
  • DOI: 10.1021/cr200190s

Metal-Organic Frameworks for Oxygen Storage
journal, October 2014

  • DeCoste, Jared B.; Weston, Mitchell H.; Fuller, Patrick E.
  • Angewandte Chemie International Edition, Vol. 53, Issue 51
  • DOI: 10.1002/anie.201408464

Metal–Organic Framework Materials as Chemical Sensors
journal, September 2011

  • Kreno, Lauren E.; Leong, Kirsty; Farha, Omar K.
  • Chemical Reviews, Vol. 112, Issue 2, p. 1105-1125
  • DOI: 10.1021/cr200324t

On the Mechanism Behind the Instability of Isoreticular Metal-Organic Frameworks (IRMOFs) in Humid Environments
journal, August 2012

  • Bellarosa, Luca; Castillo, Juan Manuel; Vlugt, Thijs
  • Chemistry - A European Journal, Vol. 18, Issue 39
  • DOI: 10.1002/chem.201201212

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs
journal, July 2012

  • De Toni, Marta; Jonchiere, Romain; Pullumbi, Pluton
  • ChemPhysChem, Vol. 13, Issue 15
  • DOI: 10.1002/cphc.201200455

Porous Metal–Organic Frameworks for Gas Storage and Separation: What, How, and Why?
journal, September 2014

  • Li, Bin; Wen, Hui-Min; Zhou, Wei
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 20
  • DOI: 10.1021/jz501586e

Reversible and Selective O 2 Chemisorption in a Porous Metal–Organic Host Material
journal, July 2011

  • Southon, Peter D.; Price, David J.; Nielsen, Pia K.
  • Journal of the American Chemical Society, Vol. 133, Issue 28
  • DOI: 10.1021/ja202228v

Mixed-Valence Iron(II, III) Trimesates with Open Frameworks Modulated by Solvents
journal, September 2007

  • Xie, Linhua; Liu, Shuxia; Gao, Chaoying
  • Inorganic Chemistry, Vol. 46, Issue 19
  • DOI: 10.1021/ic062273m

A copper-based metal–organic framework constructed from a new tetracarboxylic acid for selective gas separation
journal, November 2014


How ligands improve the hydrothermal stability and affect the adsorption in the IRMOF family
journal, January 2013

  • Bellarosa, Luca; Gutiérrez-Sevillano, Juan J.; Calero, Sofía
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 40
  • DOI: 10.1039/c3cp52223g

Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8
journal, August 2011

  • Sava, Dorina F.; Rodriguez, Mark A.; Chapman, Karena W.
  • Journal of the American Chemical Society, Vol. 133, Issue 32
  • DOI: 10.1021/ja204757x

Separation of gas mixtures using Co(ii) carborane-based porous coordination polymers
journal, January 2010

  • Bae, Youn-Sang; Spokoyny, Alexander M.; Farha, Omar K.
  • Chemical Communications, Vol. 46, Issue 20
  • DOI: 10.1039/b927499e

Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites
journal, September 2011

  • Stock, Norbert; Biswas, Shyam
  • Chemical Reviews, Vol. 112, Issue 2
  • DOI: 10.1021/cr200304e

A two dimensional microporous metal-organic framework for selective gas separation
journal, December 2014


Rapid Pressure Swing Adsorption for Reduction of Bed Size Factor of a Medical Oxygen Concentrator
journal, July 2011

  • Chai, Siew Wah; Kothare, Mayuresh V.; Sircar, Shivaji
  • Industrial & Engineering Chemistry Research, Vol. 50, Issue 14
  • DOI: 10.1021/ie2005093

A new method for diagonalising large matrices
journal, June 1985


Ultrafast high-performance extraction of uranium from seawater without pretreatment using an acylamide- and carboxyl-functionalized metal–organic framework
journal, January 2015

  • Wang, Ling Ling; Luo, Feng; Dang, Li Long
  • Journal of Materials Chemistry A, Vol. 3, Issue 26
  • DOI: 10.1039/C5TA01972A