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Search Publications by: Craig Brown (Fed)

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Displaying 151 - 175 of 309

Unravelling Solid-State Redox Chemistry in Li 1.3 Nb 0.3 Mn 0.4 O 2 Single-Crystal Cathode Material

March 13, 2018
Author(s)
Wang Hay Kan, Dongchang Chen, Joseph K. Papp, Alpesh Khushalchand Shukla, Ashfia Huq, Craig Brown, Bryan D. McCloskey, Guoying Chen
Recent reports on high capacities delivered by Li-excess transition-metal oxide cathodes have triggered intense interest in utilizing reversible oxygen redox for high-energy battery applications. In order to control oxygen electrochemical activities

Rapid Microwave Preparation and Composition Tuning of the High-Performance Magnetocalorics (Mn,Fe) 2 (P,Si)

February 28, 2018
Author(s)
Jason H. Grebenkemper, Joshua D. Bocarsly, Emily E. Levin, Gareth Seward, Colin A. Heikes, Craig Brown, Sumohan Misra, Fabian Seeler, Kerstin Schierle-Arndt, Stephen D. Wilson, Ram Seshadri
A rapid preparation utilizing assisted microwave heating has been developed for (Mn,Fe) 2(P,Si) and used to prepare samples of (Mn,Fe) 2-δPd0.5^Si 0.5 with δ=0, 0.06, and 0.12. To fully understand the effects of processing and composition changes on

H 2 Adsorption on Cu(I)-SSZ-13

January 11, 2018
Author(s)
Bahar Ipek, Rachel A. Pollock, Craig Brown, Deniz Uner, Raul F. Lobo
We report H 2 adsorption capacities reaching 0.05 mass% (wt. %) at 303 K and 1 atm H 2 pressure on solid-state CuCl-exchanged [Al]-SSZ-13 and [B]-SSZ zeolites. Differential heat of H 2 adsorption is found in the range between 16 KJ mol H 2 -1 and 48 KJ mol

Pressure Tuning of Collapse of Helimagnetic Structure in Au 2 Mn

November 27, 2017
Author(s)
I Lin NMN Liu, Maria J. Pascale, Juscelino Leao, Craig Brown, William D. Ratcliff, Qingzhen Huang, Nicholas Butch
We identify the phase boundary between spiral spin and ferromagnetic phases in Au 2Mn at a critical pressure of 16.4 kbar, as determined by neutron diffraction, magnetization and magnetoresistance measurements. The temperature-dependent critical field at a

Electronic Conductivity in a Porous Vanadyl Prussian Blue Analogue upon Air Exposure

November 6, 2017
Author(s)
Mary Anne Manumpil, Carmen Leal-Cervantes, Matthew R. Hudson, Craig Brown, Hemamala I. Karunadasa
Exposure to humid oxygen or ambient air affords a 5-or-der-of-magnitude increase in the electronic conductivity of a new Prussian blue analog incorporation Co(II) and V(IV)-oxo units. Oxidation produces a mixed-valence framework, where the oxygen exposure

Selective Gas Adsorption in Highly Porous Chromium(II)-Based Metal-Organic Polyhedra

September 27, 2017
Author(s)
Gregory R. Lorzing, Benjamin Trump, Craig Brown, Eric D. Bloch
The synthesis and characterization of two novel chromium(II)-based cuboctahedral metal-organic polyhedra is reported. The alkane functionalized analog, Cr_ tBu-bdc ( tBu-bdc = 5-tertbutylbenzene-1,3-dicarboxylate) exhibits excellent thermal stability

Origin of Long Lifetime of Band-Edge Charge Carriers in organic-Inorganic Lead Iodide Perovskites

July 17, 2017
Author(s)
Tianran Chen, Wei-Liang Chen, Benjamin J. Foley, Jooseop Lee, Jacob P. C. Ruff, J. Y. Peter Ko, Craig Brown, Leland Harriger, Depei Zhang, Changwon Park, Mina Yoon, Yu-Ming Chang, Joshua J. Choi, Seung-Hun Lee
Long carrier lifetime is what makes hybrid organic-inorganic perovskites (HOIPs) high performance photovoltaic materials. The microscopic mechanism behind the unusually long carrier lifetime of greater than equal to} 1 υs is not well understood. Here we

Formation of [Cu 2 O 2 ] 2+ and [Cu 2 O] 2+ Toward C-H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39

July 7, 2017
Author(s)
Bahar Ipek, Matthew J. Wulfers, Hacksung Kim, Florian Goeltl, Ive Hermans, Joseph P. Smith, Karl S. Booksh, Craig Brown, Raul F. Lobo
Cu- exchanged small-pore zeolites (CHA and AEI) form methanol from methane (>95% selectivity) using a 3-step cyclic procedure (Wulfers, M. J.; Teketel, S.; Ipek, B.; Lobo, R. F. Chem. Commun. 2015, 51, 4447–4450) with methanol amounts higher than Cu- ZSM-5

Metal-Insulator Transition Tuned by Magnetic Field in Bi 1.7 V 8 O 16 Hollandite

May 1, 2017
Author(s)
Amber M. Larson, Brandon Wilfong, Pouya Moetakef, Craig Brown, Peter Zavalij, Efrain E. Rodriguez
We describe a metal-insulator transition for a quasi-one dimensional system containing a mix of S = 1 and S=1/2 vanadium cations. Unlike all other known vanadates, Bi 1.7V 8O 16 displays non-spin-singlet formation upon entering the insulating state

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M 2 (dobdc) Metal-Organic Frameworks

April 24, 2017
Author(s)
Bess Vlaisavljevich, Johanna Huck, Zeric Hulvey, Kyuho Lee, Jarad A. Mason, Jeffrey B. Neaton, Jeffrey R. Long, Craig Brown, Dario Alfe, Angelos Michaelides, Berend Smit
Small molecule binding in metal-organic frameworks (MOFs) can be accurately studied both experimentally and computationally, provided the proper tools are employed. Herein, we compare and contrast properties associated with guest binding with density

Combining Microscopic and Macroscopic Probes to Untangle the Single-Ion Anisotropy and Exchange Energies in an S = 1 Quantum Antiferromagnet

April 20, 2017
Author(s)
Jamie Brambleby, Jamie Lee Manson, Paul A. Goddard, Matthew B. Stone, Roger D. Johnson, Pascal Manuel, Jacquelina A. Villa, Craig Brown, Helen Lu, Shalinee Chikara, Vivien Zapf, Saul H. Lapidus, Rebecca Scatena, Piero Macchi, Yu-Sheng Chen, Lai-Chin Wu, John Singleton
We derive a synergistic approach to determine the spin Hamiltonian and field-temperature phase diagram for polycrystalline samples of S = 1 [Ni(HF 2)(pyz) 2]SbF 6 by exploiting a selected range of experimental techniques. Spatial exchange anisotropy was

Ising-Like Antiferromagnetism on the Octahedral Sublattice of a Cobalt-Containing Garnet and the Potential for Quantum Critically

April 14, 2017
Author(s)
Abbey J. Neer, Joanna Milam-Guerrero, Justin E. So, Brent C. Melot, Kate Ross, Zeric Hulvey, Craig Brown, Alexey A. Sokol, David O. Scanlon
In this letter, we report the observation of quasi-one-dimensional magnetism in the garnet CaY 2Co 2Ge 3O 12. Using low-temperature powder neutron diffraction and symmetry analysis, we identify a magnetic structure consisting of chain-like motifs oriented

Cubic Lead Perovskite PbMoO 3 with Anomalous Metallic Behavior

April 1, 2017
Author(s)
Hiroshi Takatsu, Olivier Hernandez, Wataru Yoshimune, Carmelo Prestipino, Takafumi Yamamoto, Cedric Tassel, Yoji Kobayashi, Dmitry Batuk, Yuki Shibata, Artem M. Abakumov, Craig Brown, Hiroshi Kageyama
A novel Pb-based perovskite PbMoO 3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural