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Search Publications by: Craig Brown (Fed)

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Displaying 226 - 250 of 309

Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

October 14, 2015
Author(s)
Jason S. Lee, Bess Vlaisavljevich, David K. Britt, Craig Brown, Maciej Haranczyk, Jeffrey B. Neaton, Berend Smit, Jeffrey R. Long, W. L. Queen
Metal-organic frameworks (MOFs) have gained much attention as next generation porous media for various applications, especially gas separations/storage and catalysis. New MOFs are regularly reported; however, to develop better materials in a timely manner

Stabilization of Cubic Sr 2 FeMoO 6 through Topochemical Reduction

August 7, 2015
Author(s)
Daniel D. Taylor, Nathaniel J. Schreiber, Craig Brown, Angel M. Arevalo-Lopez, Efrain E. Rodriguez
Sr 2FeMoO 6 has been extensively studied for application in spintronic devices. Through the topochemical deintercalation of the oxygen anions, the high temperature cubic phase can be stabilized at room temperature while leaving the magnetic ordering intact

Flexible metal-organic framework compounds: In situ studies for selective CO2 capture

June 19, 2015
Author(s)
Andrew J. Allen, Laura Espinal, Winnie K. Wong-Ng, Wendy Queen, Craig Brown, Steven R. Kline, Kristi L. Kauffman, Jeffrey T. Culp
Results from in situ experiments are presented to correlate carbon capture with dynamic structural changes in two flexible metal-organic framework (MOF) materials: porous coordination polymers (PCPs) exhibiting promising carbon dioxide adsorption

Gradual Release of Strongly-Bound Nitric Oxide from Fe 2 (NO) 2 (dobdc)

February 24, 2015
Author(s)
Eric D. Bloch, Wendy L. Queen, Sachin Chavan, Paul S. Wheatley, Joseph M. Zadrozny, Russell E. Morris, Craig Brown, Carlo Lamberti, Silvia Bordiga, Jeffrey R. Long
An iron-based metal-organic framework featuring coordinatively-unsaturated redox-active metal cation sites, Fe 2(dobdc) (dobdc 4- = 1,4-dioxido-2,5-benzenedicarboxylate), is shown to strongly bond nitric oxide at 298 K. Adsorption isotherms indicate an

Inducing Ferrimagnetism in Insulating Hollandite Ba 1.2 Mn 8 O 16

January 27, 2015
Author(s)
Amber M. Larson, Pouya Moetakef, Karen Gaskell, Craig Brown, Graham King, Efrain E. Rodriguez
Folded triangular lattices connecting magnetic metal centers can be realized in the so-called hollandite type structure, providing a new platform for multifunctional behavior in transition metal oxides. The microporous oxide BaMn 8O 16 has been tuned from

Molecular Basis for the High CO 2 Adsorption Capacity in Chabazite Zeolites

November 7, 2014
Author(s)
Trong D. Pham, Matthew Ross Hudson, Craig Brown, Raul F. Lobo
The structure-property relationship for CO 2 adsorption in Li-, Na-, K-CHA (Si/Al = 5 and = 12), and pure silica chabazite (Si-CHA) zeolites was investigated by X-ray and neutron powder diffraction measurements. Two adsorption sites for CO 2 were found in

Nanoscale Structural Heterogeneity in Ni-rich Half-Heusler TiNiSn

October 28, 2014
Author(s)
Jason E. Douglas, Philip A. Chater, Craig Brown, Tresa M. Pollock, Ram Seshadri
The structural implications of excess Ni in the TiNiSn half-Heusler compound are examined through a combination of synchrotron x-ray and neutron scattering studies, in conjunction with first principles density functional theory calculations on supercells

Comprehensive Study of Carbon Dioxide Adsorption in the Metal-Organic Frameworks M 2 (dobdc) (M=Mg, Mn, Fe, Co, Ni, Cu, Zn)

August 28, 2014
Author(s)
Wendy L. Queen, Matthew Ross Hudson, Eric D. Bloch, Jarad A. Mason, Miguel I. Gonzalez, Jason S. Lee, David Gygi, Joshua D. Howe, Kyuho Lee, Tamim A. Darwish, Michael James, Vanessa K. Peterson, Simon J. Teat, Berend Smit, Jeffrey B. Neaton, Jeffrey R. Long, Craig Brown
Analysis of the CO 2 adsorption properties of a well-known series of metal-organic frameworks M6d26(dobdc) (dobdc^u4¿6 = 2,5-dioxido-1,4-benzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Cu, and Zn) is carried out in tandem with [I]in-situ[/I] structural

M 2 (m-dobdc) (M=Mg,Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H 2 Binding at the Open Metal Sites

August 14, 2014
Author(s)
Matthew T. Kapelewski, Stephen J. Geier, Matthew Ross Hudson, David Stuck, Jarad A. Mason, Jocienne N. Nelson, Zeric Z. Hulvey, Elizabeth Gilmour, Stephen A. FitzGerald, Martin Head-Gordon, Craig Brown, Jeffrey R. Long
Metal-organic frameworks are a class of microporous materials that are being heavily investigated for their hydrogen storage properties due to their high internal surface areas and strong interactions with adsorbed gases. Increasing they hydrogen binding

Kinetic Trapping of D 2 in MIL-53(AL) Observed using Neutron Scattering

July 14, 2014
Author(s)
Rachel Ann Pollock, Jae-Hyuk Her, Craig Brown, Yun Liu, Anne Dailly
We have studied gas adsorption effects on the structure of a metal organic framework, MIL-53(Al), a material well known due to the controllable framework 'breathing¿ phenomenon. Neutron powder diffraction between 4 K and 77 K and up to 4.5 bar pressure D 2