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Search Publications by: Craig Brown (Fed)

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Displaying 126 - 150 of 160

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

Solid-State 29 Si NMR and Neutron-Diffraction Studies of Sr 0.07 K 0.3 SiO 2.85 Oxide Ion Conductors

July 7, 2014
Author(s)
Jungu Xu, Xiaoming Wang, Hui Fu, Craig Brown, Xiping Jing, Fuhui Liao, Fengqi Lu, Xiaohui Li, Xiaojun Kuang, Mingmei Wu
The new oxide ion conductors Sr 1-xK xSiO 3-05x, recently reported as promising candidate electrolytes for solid oxide fuel cells, were characterized using solid-state 29Si nuclear magnetic resonance (NMR)spectroscopy, neutron powder diffraction (NPD) and

Design of a Metal-Organic Framework with Enhanced Back Bonding for the Separation of N 2 and CH 4

January 15, 2014
Author(s)
Kyuho Lee, III Isley, Allison L. Dzubak, Pragya Verma, Samuel J. Stoneburner, Li-Chiang Lin, Joshua D. Howe, Eric D. Bloch, Douglas A. Reed, Matthew Ross Hudson, Craig Brown, Jeffrey R. Long, Jeffrey Neaton, Berend Smit, Christopher J. Cramer, Donald G. Truhlar, Laura Gagliardi
Gas separations with porous materials are economically important and provide a unique challenge to fundamental materials design, as adsorbent properties can be altered to achieve selective gas adsorption. Metal-organic frameworks represent a rapidly

Structure and Spectroscopy of Hydrogen Adsorbed in a Nickel Metal-Organic Framework

December 12, 2013
Author(s)
Craig M. Brown, Anibal Javier Ramirez-Cuesta, Jae-Hyuk Her, Paul S. Wheatley, Russell E. Morris
The structure of Ni 2(dobdc) (dobdc 4- = 2,5- dioxido-1,4-benzenedicarboxylate) as a function of deuterium adsorption has been determined through the application of in-situ neutron powder diffraction. Detailed information concerning the local adsorption

Muon Spin Relaxation and Electron/Neutron Diffraction Studies of BaTi 2 (As 1-x Sb x ) 2 O: Absence of Static Magnetism and Superlattice Reflections

December 6, 2013
Author(s)
Y. Nozaki, K. Nakano, T. Yajima, H. Kageyama, B. Frandsen, L Liu, S. Cheung, T. Goko, Y. J. Uemura, T.S.J. Munsie, T. Medina, G. M. Luke, J. Munevar, D. Nishio-Hamane, Craig Brown
We present the results of muon spin relaxation/rotation, transmission electron microscopy, and neutron diffraction measurements performed on several specimens of BaTi 2(As 1-xSb x) 2O, which is known to have either charge density or spin density wave

Correlations Between Structure and Gas-Adsorption/Separation Properties of Metal-Organic Frameworks

September 30, 2013
Author(s)
Wendy L. Queen, Jason Lee, Miguel Gonzalez, Stephen J. Geier, Jarad A. Mason, Jeffrey R. Long, Craig Brown, Matthew Ross Hudson, Simon J. Teat
To help reduce industrial CO 2 emissions, better materials are required to lower the parasitic energy associated with current carbon capture and sequestration (CCS) technologies. As a result, much emphasis has been placed on the design of new porous

Flexible Metal Organic Framework Compound, Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]n, for CO2 Sorption Applications

April 7, 2013
Author(s)
Winnie K. Wong-Ng, Jeffrey T. Culp, Yu-Sheng Chen, Laura Espinal, Andrew J. Allen, Daniel W. Siderius, Craig M. Brown, Wendy Queen, Peter Zavalij, Christopher Matranga
New sorbent materials are required for carbon capture because coal-fired electrical power plants, the largest emitters of this greenhouse gas, will continue to produce much of our nation’s electricity for at least several decades. Within the family of

Spectroscopic Identification of Hydrogen Spillover Species in Ruthenium-modified High Surface Area Carbons by Diffuse Reflectance Infrared Fourier Transform Spectroscopy

December 17, 2012
Author(s)
Jeffrey L. Blackburn, Chaiwat Engtrakul, Justin B. Bult, Katherine Hurst, Yufeng Zhao, Qiang Xu, Philip A. Parilla, Lin J. Simpson, John-David R. Rocha, Matthew Ross Hudson, Craig Brown, Thomas Gennett
In recent years, carbon-based sorbents have been recognized for their potential application within vehicular hydrogen storage applications. One method by which sorbents have been reported to store appreciable hydrogen at room temperature is via a spillover

Evaluation of Cation-Exchanged Zeolite Adsorbents for Post-Combustion Carbon Dioxide Capture

October 15, 2012
Author(s)
Tae-Hyun Bae, Matthew Ross Hudson, Jarad A. Mason, Wendy Queen, J.J. Dutton, Kenji Sumida, Ken J. Micklash, Steven S. Kaye, Craig Brown, Jeffrey R. Long
A series of zeolite adsorbents was evaluated for potential application in post-combustion (CO 2) capture. Among zeolites tested, Ca-A showed the highest CO 2 uptake together with an excellent CO 2 selectivity over N 2 at conditions relevant to capture from

Metal-Assisted Hydrogen Storage on Pt-Decorated Single-Walled Carbon Nanohorns

June 23, 2012
Author(s)
Yun Liu, Craig M. Brown, Dan A. Neumann, David B. Geohegan, Alexander A. Puretzky, Christopher M. Rouleau, Hui Hu, David Styers-Barnett, Pavel O. Krasnov, Boris I. Yakobson
Current methods to study the spillover effect in hydrogen storage materials typically must compare the results from a separate reference sample. This makes it difficult to determine with confidence the amount of adsorbed hydrogen only associated with

Hydrogen Species Motion in Piezoelectrics: A Quasi-Elastic Neutron Scattering Study

March 5, 2012
Author(s)
K. J. Alvine, Madhu Sudan Tyagi, Craig Brown, Terrence J. Udovic, T. Jenkins, S. G. Pitman
Hydrogen is known to damage or degrade piezoelectric materials, at low pressure for ferroelectric random access memory applications, and at high pressure for hydrogen powered vehicle applications. The piezoelectric degradation is in part governed by the

Anharmonic Phonons and Magnons in BiFeO 3

February 13, 2012
Author(s)
O. Delaire, M. B. Stone, J. Ma, A. Huq, D. Gout, Craig Brown, K. F. Wang, Z. F. Ren
The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO 3 were measured for temperatures 200 less than or equal to}Τ less than or equal to} 750K, using inelastic neutron scattering (INS). Our results indicate that the

Site-Specific CO 2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network

November 8, 2011
Author(s)
Wendy Queen, Craig M. Brown, David K. Britt, Matthew R. Hudson, Omar M. Yaghi
Detailed neutron powder diffraction (NPD) experiments were carried out on the bare and CO 2 adsorbed Mg-MOF 74. While low-temperature data revealed two CO 2 adsorption sites and multiple changes in the framework as a function of CO 2 loading, room

Selective Binding of O 2 over N 2 in Redox- Active Metal-Organic Framework with Open Iron(II) Coordination Sites

August 10, 2011
Author(s)
Eric D. Bloch, Leslie J. Murray, Wendy Queen, Sachin Chavan, Sergey N. Maximoff, Julian P. Bigi, Rajamani Krishna, Vanessa Peterson, Fernande Grandjean, Berend Smit, Silvia Bordiga, Craig Brown, Jeffrey R. Long
The air-free reaction of FeCl 2 and H 4dobdc (dobdc 4- = 2,5-dioxido-1,4- benzenedicarboxylate) in a mixture of DMF and methanol affords Fe 2(dobdc), a metal-organic framework isostructural to M 2(dobdc) (M = Mg 2+, Mn 2+, Co 2+, Ni 2+, Zn 2+). The

Redox-Promoting Protein Motions in Rubredoxin

May 24, 2011
Author(s)
Jose M. Borreguero, Junhong He, F. Meilleur, Kevin Weiss, Craig Brown, D. A. A. Myles, Kenneth W. Herwig, Pratul K. Agarwal
Abstract Proteins are dynamic objects, constantly undergoing conformational fluctuations, yet the linkage between internal protein motion and function is widely debated. This manuscript reports on the characterization of temperature-activated collective

Neutron Scattering and Spectroscopic Studies of Hydrogen Adsorption in Cr 3 (BTC) 2 - A Metal-Organic Framework with Exposed Cr 2+ Sites

April 1, 2011
Author(s)
Kenji Sumida, Jae-Hyuk Her, Mircea Dinca, Leslie J. Murray, Jennifer M. Schloss, Christopher J. Pierce, Benjamin A. Thompson, Stephen A. FitzGerald, Craig Brown, Jeffrey R. Long
Microporous metal-organic frameworks possessing exposed metal cation sites on the pore surface are of particular interest for high-density H 2 storage at ambient temperatures, owing to the potential for H 2 binding at the appropriate isosteric heat of