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Search Publications by: Craig Brown (Fed)

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Displaying 51 - 75 of 309

Magnetic Structure, Excitations and Short-Range order in Honeycomb Na 2 Ni 2 TeO 6

July 15, 2021
Author(s)
Nathan Episcopo, Po-Hao Chang, Thomas W. Heitmann, Kinley Wangmo, James M. Guthrie, Magdalena Fitta, Ryan Klein, Narayan Poudel, Krzysztof Gofryk, Rajendra R. Zope, Craig Brown, Harikrishnan S. Nair
Na 2Ni 2TeO 6 has a layered hexagonal structure with a honeycomb lattice constituted by Ni 2+ and a chiral charge distribution of Na + that resides between the Ni layers. In the present work, the antiferromagnetic transition temperature of Na 2Ni 2TeO 6 is

Ambient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal-Organic Framework

April 28, 2021
Author(s)
David Jaramillo, Henry Jiang, Hayden Evans, Romit Chakraborty, Hiroyasu Furukawa, Craig Brown, Martin Head-Gordon, Jeffrey Long
The widespread implementation of H 2 as a fuel is currently hindered by the high pressures or cryogenic temperatures required to achieve reasonable storage densities. In contrast, the realization of materials that strongly and reversibly adsorb hydrogen at

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