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Search Publications by: Craig Brown (Fed)

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Displaying 51 - 75 of 179

Neel Ordering in the Distorted Honeycomb Pyrosilicate: C-Er 2 Si 2 O 7

January 18, 2021
Author(s)
Gavin Hester, T. N. DeLazzer, S. S. Lim, Craig Brown, K. A. Ross
The rare-earth pyrosilicate family of compounds (RE 2Si 2O 7) hosts a variety of polymorphs, some with honeycomb-like geometries of the rare-earth sublattices, and the magnetism has yet to be deeply explored in many of the cases. Here we report on the

Chemical Bonding Governs Complex Magnetism in MnPt 5 P

January 14, 2021
Author(s)
Xin Gui, Ryan Klein, Craig Brown, Weiwei Xie
Subtle changes in chemical bonds may result in dramatic revolutions in magnetic properties in solid state materials. MnPt 5P, a new derivative of the rare-earth-free ferromagnetic MnPt5As, was discovered and is presented in this work. MnPt 5P was

Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light Photocatalysis

January 8, 2021
Author(s)
Akinobu Nakada, Daichi Kato, Hikaru Takahira, Masayoshi Yabuuchi, Masanobu Higashi, Hajime Suzuki, Maria Kirsanova, Naoji Kakudou, Cedric Tassel, Takafumi Yamamoto, Craig Brown, Akinori Saeki, Artem M. Abakumov, Hiroshi Kageyama, Ryu Abe
Compounds with fluorite-type Bi 2O 2 layers display various properties due to stereoactive Bi-ions. Bi 2O 2-based oxyhalides are promising visible-light photocatalysts, where several strategies have been demonstrated to control the valence band maximum

Structural resolution and mechanistic insight into hydrogen adsorption in flexible ZIF-7

January 1, 2021
Author(s)
Ryan Klein, Sarah Shulda, Philip Parilla, Pierre Le Maqueres, Rachelle Richardson, William Morris, Craig Brown, C. Michael McGuirk
Flexible metal–organic frameworks offer a route towards high useable hydrogen storage capacities with minimal swings in pressure and temperature via step-shaped adsorption and desorption profiles. Yet, the understanding of hydrogen-induced flexibility in

Competing Antiferromagnetic-Ferromagnetic States in d 7 Kitaev Honeycomb Magnet

December 14, 2020
Author(s)
Hector Vivanco, Benjamin Trump, Craig Brown, Tyrel M. McQueen
The Kitaev model is a rare example of an analytically solvable and physically instantiable Hamiltonian yielding a topological quantum spin liquid ground state. Here we report signatures of Kitaev spin liquid physics in the honeycomb magnet Li 3Co 2SbO 6

Strain-Induced Creation and Switching of Anion Vacancy Layers in Perovskite Oxynitrides

November 23, 2020
Author(s)
Takafumi Yamamoto, Akira Chikamatsu, Shunsaku Kitagawa, Nana Izumo, Shunsuke Yamashita, Hiroshi Takatsu, Masayuki Ochi, Takahiro Maryuama, Morito Namba, Wenhao Sun, Takahide Nakashima, Fumitaka Takeiri, Kotaro Fujii, Masatomo Yashima, Yuki Sugisawa, Masahito Sano, Yashushi Hirose, Daiichiro Sekiba, Craig Brown, Takashi Honda, Kazutaka Ikeda, Toshiya Otomo, Kazuhiko Kuroki, Kenji Ishida, Takao Mori, Koji Kimoto, Tetsuya Hasegawa, Hiroshi Kageyama
Perovskite oxides, ABO 3, can host a variety of anion vacancies in the form of chains or layers, which results in various properties 1-3 and thus the manipulation of vacancy patterns is of considerable interest. Separately, lattice strain between thin-film

Peritectic Phase Transition of Benzene and Acetonitrile into a Cocrystal Relevant to Titan, Saturn's Moon

November 14, 2020
Author(s)
Christina A. McConville, Yunwen Tao, Hayden Evans, Benjamin Trump, Jonathan B. Lefton, Wenqian Xu, Andrey A. Yakovenko, Elfi Kraka, Craig Brown, Tomce Runcevski
Benzene and acetonitrile are two of the most commonly used solvents found in almost every chemical laboratory. Titan, Saturn's icy moon, is one other place in the Solar system that has even larger amounts of these compounds, together with many other

Observation of an Intermediate to H2 Binding in a Metal-organic Framework

November 10, 2020
Author(s)
Brandon R. Barnett, Hayden Evans, Gregory M. Su, Henry Z.H. Jiang, Romit Chakraborty, Didier Banyeretse, Tyler J. Hartman, Madison B. Martinez, Benjamin Trump, Jacob D. Tarver, Matthew N. Dods, Walter S. Drisdell, Katherine E. Hurst, Thomas Gennett, Stephen A. FitzGerald, Craig Brown, Martin Head-Gordon, Jeffrey R. Long
Coordinatively-unsaturated metal sites within certain zeolites and metal–organic frameworks can strongly adsorb various molecules. While many classical examples involve electron-poor metal cations that interact with adsorbates largely through electrostatic

Dynamics of Hydroxyl Anions Promotes Lithium Ion Conduction in Antiperovskite Li 2 OHCl

October 13, 2020
Author(s)
Fei Wang, Hayden Evans, Kwangnam Kim, Liang Yin, Yiliang Li, Ping-Chun Tsai, Jue Liu, Saul H. Lapidus, Craig Brown, Donald J. Siegel, Yet-Ming Chiang
Li 2OHCl is an exemplar of the anti-perovskite family of ionic conductors, for which high ionic conductivities have been reported, but in which the atomic-level mechanism of ion migration is unclear. The stable phase is highly defective, having 1/3 of the

Elucidating the Structure of the Metal-Organic Framework Ru-HKUST-1

September 22, 2020
Author(s)
Gregory R. Lorzing, Krista P. Balto, Alexandra M. Antonio, Benjamin Trump, Craig Brown, Eric D. Bloch
Ru-HKUST-1 (Ru 3(btc) 2X 1.5; btc 3– = 1,3,5-benzentricarboxylate; X –^ = chloride, acetate, trimesate) has received considerable attention as a result of its structure type, tunability, and the redox-active nature of its constituent metal paddlewheel

Negative Cooperativity upon Hydrogen Bond-Stabilized O 2 Adsorption in a Redox-Active Metal-Organic Framework

June 18, 2020
Author(s)
Julia Oktawiec, Henry Z. H. Jiang, Jenny G. Vitillo, Douglas A. Reed, Lucy E. Darago, Benjamin Trump, Varinia Bernales, Harriet Li, Kristen A. Colwell, Hiroyasu Furukawa, Craig Brown, Laura Gagliardi, Jeffrey R. Long
The design of stable adsorbents capable of selectively capturing dioxygen with a high reversible capacity is a crucial goal in functional materials development. Drawing inspiration from biological O 2 carriers, we demonstrate that coupling metal-based

Inter-Kramers Transitions and Spin-Phonon Couplings in a Lanthanide-Based Single-Molecule Magnet

April 6, 2020
Author(s)
Duncan H. Moseley, Shelby E. Stavretis, Zhenhua Zhu, Mei Guo, Craig Brown, Mykhaylo Ozerov, Yongqiang Cheng, Luke L. Daemen, Rachael Richardson, Gary Knight, Komalavalli Thirunavukkuarasu, Anibal J. Ramirez-Cuesta, Jinkui Tang, Zi-Ling Xue
Spin-phonon coupling plays a critical role in magnetic relaxation in single-molecule magnets (SMMs) and molecular qubits. Yet, few studies of its nature have been conducted. Phonons here refer to both intermolecular and intramolecular vibrations. In the

Metastability and Reversibility of Anionic Redox-Based Cathode for High-Energy Rechargeable Batteries

March 25, 2020
Author(s)
Bao Qiu, Minghao Zhang, Seung-Yong Lee, Haodong Liu, Thomas A. Wynn, Lijun Wu, Yimei Zhu, Wen Wen, Craig Brown, Dong Zhou, Zhaoping Liu, Ying Shirley Meng
Great focus has been placed on the advancement of anionic redox, to which Li-rich layered oxide cathodes high capacities - currently exceeding 300 mAh g -1 - are attributed. With almost doubled capacity compared with present cathode materials, performance

Long-Range Magnetic Order in Hydroxide-Layer-Doped (Li 1-x-y Fe x Mn y OD)FeSe

March 11, 2020
Author(s)
Brandon Wilfong, Xiuquan Zhou, Huafei Zheng, Navneeth Babra, Craig Brown, Jeffrey W. Lynn, Keith M. Taddei, Johnpierre Paglione, Efrain E. Rodriguez
The (Li 1-xFe xOH)FeSe superconductor has been suspected to exhibit long-range magnetic ordering due to Fe substitution in the LiOH layer. However, no direct observation such as magnetic reflection from neutron diffraction has be reported. Here, we use a

Understanding How Ligand Functionalization Influences CO 2 and N 2 Adsorption in a Sodalite Metal-Organic Framework

February 25, 2020
Author(s)
Mehrdad Asgari, Rocio Semino, Pascal A. Schouwink, Ilia Kochetygov, Jacob D. Tarver, Olga Trukhina, Rajamani Krishna, Craig Brown, Michele Ceriotti, Wendy L. Queen
In this work, a detailed study is conducted to understand how ligand substitution influences the CO 2 and N 2 adsorption properties of two highly crystalline sodalite MOFs known as Cu-BTT (BTT -3= 1,3,5-benzenetristetrazolate) and Cu-BTTri (BTTri -3 = 1,3

Molecular Insight into Fluorocarbon Adsorption in Pore Expanded Metal-Organic Framework Analogs

February 12, 2020
Author(s)
Jian Zheng, Dushyant Barpaga, Benjamin Trump, Manish Shetty, Yanzhong Fan, Papri Bhattacharya, Jeromy J. Jenks, Cheng-Yong Su, Craig Brown, Guillaume Maurin, B. Peter McGrail, Radha Kishan Motkuri
The rapid growth in the global energy demand for space cooling requires the development of more efficient environmental chillers for which adsorption-based cooling systems can be utilized. Here in this contribution, we explore sorbents for chiller use via

Elusive Valence Transition in Mixed-Valence Sesquioxide Cs 4 O 6

November 4, 2019
Author(s)
Ross H. Colman, H. Esma Okur, Winfried Kockelmann, Craig Brown, Annette Sans, Claudia Felser, Martin Jansen, Kosmas Prassides
Cs 4O 6 is a mixed valence molecular oxide with a cubic structure, comprising valency-delocalized O 2 4/3- units and with properties highly sensitive to cooling protocols. Here we use neutron powder diffraction to authenticate that, while upon deep

Realization of Interlayer Ferromagnetic Interaction in MnSb 2 Te 4 toward the Magnetic Weyl Semimetal State

November 4, 2019
Author(s)
Taito Murakami, Yusuke Nambu, Takashi Koretsune, Gu Xiangyu, Takafumi Yamamoto, Craig Brown, Hiroshi Kageyama
Magnetism in the newly synthesized topological magnet Sb 2MnTe 4 is examined. Magnetic susceptibility, specific heat, and neutron diffraction measurements reveal a ferrimagnetic transition below 25 K, in contradiction to previous theoretical calculations

Field-Tunable Quantum Disordered Ground State in the Triangular-Lattice Antiferromagnet NaYbO 2

October 1, 2019
Author(s)
Mitchell M. Bordelon, Eric Kenney, Chunxiao Liu, Tom Hogan, Lorenzo Posthuma, Marzieh Kavand, Yuangqi Lyu, Mark Sherwin, Nicholas Butch, Craig Brown, M. J. Graf, Leon Balents, Stephen D. Wilson
One of the simplest routes to pursuing magnets with strong quantum fluctuations that quench conventional order is via decorating a triangular lattice with antiferromagnetically coupled S=1/2 moments. As disorder and anisotropies inherent in materials

Anharmonic Acoustic Phonons and A-site Critical Fluctuations in the Lead Halide Perovskite CsPbBr 3

September 17, 2019
Author(s)
M. Songvilay, Nathan Giles-Donovan, M. Bari, Z.-G. Ye, J. L. Minns, M. A. Green, Guangyong Xu, Peter M. Gehring, K. Schmalzl, William D. Ratcliff, Craig Brown, D. Chernyshov, W. van Beek, Sandy Cochran, Christopher Stock
We apply neutron spectroscopy to investigate the transverse acoustic phonons in the lead halide CsPbBr 3 near the three zone boundaries of the cubic Pm3m Brillouin zone at QX = (2,1/2,0), Q M = (3/2,1/2,0), and Q R = (1/2,1/2,3/2). CsPbB r3 undergoes two

Accessing New Charge-Transfer Complexes by Mechanochemistry: A Tetrathiafulvalene Chloranilic Acid Polymorph Containing Segregated Tetrathiafulvalene Stacks

September 4, 2019
Author(s)
Jeffrey Jones, Vinh Ta Phuoc, Leire del Campo, Nestor E. Massa, Craig Brown, Silvina Pagola
Two polymorphs of tetrathiafulvalene chloranilic acid (ITF-CAH 2) have been synthesized by mechanochemistry. The previously known "ionic" polymorph (form I), was prepared by liquid assisted grinding (LAG) using various highly polar solvents; as well as
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