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Understanding CO 2 Dynamics in Metal-Organic Frameworks with Open Metal Sites

Journal Article · · Angewandte Chemie (International Edition)

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Organization:
USDOE SC Office of Basic Energy Sciences (SC-22)
DOE Contract Number:
SC0001015
OSTI ID:
1382009
Journal Information:
Angewandte Chemie (International Edition), Journal Name: Angewandte Chemie (International Edition) Journal Issue: 16 Vol. 52; ISSN 1433-7851
Publisher:
Wiley
Country of Publication:
United States
Language:
English

References (28)

Site-Specific CO2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network journal December 2011
CO 2 Capture by Metal–Organic Frameworks with van der Waals Density Functionals journal May 2012
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen journal July 2001
Carbon capture in metal–organic frameworks—a comparative study journal January 2011
Wasserstoffspeicherung in mikroporösen metall-organischen Gerüsten mit koordinativ ungesättigten Metallzentren journal August 2008
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional journal August 2009
Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules journal December 1984
Investigating the Relative Influences of Molecular Dimensions and Binding Energies on Diffusivities of Guest Species Inside Nanoporous Crystalline Materials journal October 2012
Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores
  • Caskey, Stephen R.; Wong-Foy, Antek G.; Matzger, Adam J.
  • Journal of the American Chemical Society, Vol. 130, Issue 33, p. 10870-10871 https://doi.org/10.1021/ja8036096
journal August 2008
Large-Pore Apertures in a Series of Metal-Organic Frameworks journal May 2012
Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites journal November 2009
Computational and Experimental Studies on the Adsorption of CO, N 2 , and CO 2 on Mg-MOF-74 journal June 2010
Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption journal January 2011
Selective Binding of O 2 over N 2 in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites journal September 2011
In silico screening of carbon-capture materials journal May 2012
Application of metal–organic frameworks with coordinatively unsaturated metal sites in storage and separation of methane and carbon dioxide journal January 2009
Carbon Dioxide Capture in Metal–Organic Frameworks journal September 2011
Abscheidung von Kohlendioxid: Perspektiven für neue Materialien journal July 2010
Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity journal October 2008
Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg2(dobpdc) journal April 2012
Rod Packings and Metal−Organic Frameworks Constructed from Rod-Shaped Secondary Building Units journal February 2005
Carbon Dioxide Capture: Prospects for New Materials journal July 2010
Analyzing the frequency shift of physiadsorbed CO 2 in metal organic framework materials journal February 2012
High-Throughput Characterization of Porous Materials Using Graphics Processing Units journal April 2012
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations journal December 1992
CO 2 Dynamics in a Metal–Organic Framework with Open Metal Sites journal August 2012
Hydrogen Storage in Microporous Metal-Organic Frameworks with Exposed Metal Sites journal August 2008
Ab initio carbon capture in open-site metal–organic frameworks journal August 2012

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