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Title: A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides

Abstract

In this study, ternary lithium nickel borides LiNi3B1.8 and Li2.8Ni16B8 have been synthesized by using reactive LiH as a precursor. This synthetic route allows better mixing of the precursor powders, thus facilitating rapid preparation of the alkali-metal-containing ternary borides. This method is suitable for “fast screening” of multicomponent systems comprised of elements with drastically different reactivities. The crystal structures of the compounds LiNi3B1.8 and Li2.8Ni16B8 have been re-investigated by a combination of single-crystal X-ray/synchrotron powder diffraction, solid-state 7Li and 11B NMR spectroscopies, and scanning transmission electron microscopy. This has allowed the determination of fine structural details, including the split position of Ni sites and the ordering of B vacancies. Lastly, field-dependent and temperature-dependent magnetization measurements are consistent with spin-glass behavior for both samples.

Authors:
 [1];  [2];  [3];  [2];  [2]; ORCiD logo [2];  [2]; ORCiD logo [1]
  1. Iowa State Univ., Ames, IA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. Iowa State Univ., Ames, IA (United States); Universidade Federal do ABC (UFABC), Santo André, SP (Brazil)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1501619
Report Number(s):
IS-J-9902
Journal ID: ISSN 0947-6539
Grant/Contract Number:  
AC02-07CH11358; AC02‐06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry - A European Journal
Additional Journal Information:
Journal Volume: 25; Journal Issue: 16; Journal ID: ISSN 0947-6539
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; boron; hydrides; intermetallic phases; magnetic properties; solid-state reactions

Citation Formats

Gvozdetskyi, Volodymyr, Hanrahan, Michael P., Ribeiro, Raquel A., Kim, Tae‐Hoon, Zhou, Lin, Rossini, Aaron J., Canfield, Paul C., and Zaikina, Julia V. A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides. United States: N. p., 2019. Web. doi:10.1002/chem.201805398.
Gvozdetskyi, Volodymyr, Hanrahan, Michael P., Ribeiro, Raquel A., Kim, Tae‐Hoon, Zhou, Lin, Rossini, Aaron J., Canfield, Paul C., & Zaikina, Julia V. A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides. United States. doi:10.1002/chem.201805398.
Gvozdetskyi, Volodymyr, Hanrahan, Michael P., Ribeiro, Raquel A., Kim, Tae‐Hoon, Zhou, Lin, Rossini, Aaron J., Canfield, Paul C., and Zaikina, Julia V. Wed . "A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides". United States. doi:10.1002/chem.201805398. https://www.osti.gov/servlets/purl/1501619.
@article{osti_1501619,
title = {A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides},
author = {Gvozdetskyi, Volodymyr and Hanrahan, Michael P. and Ribeiro, Raquel A. and Kim, Tae‐Hoon and Zhou, Lin and Rossini, Aaron J. and Canfield, Paul C. and Zaikina, Julia V.},
abstractNote = {In this study, ternary lithium nickel borides LiNi3B1.8 and Li2.8Ni16B8 have been synthesized by using reactive LiH as a precursor. This synthetic route allows better mixing of the precursor powders, thus facilitating rapid preparation of the alkali-metal-containing ternary borides. This method is suitable for “fast screening” of multicomponent systems comprised of elements with drastically different reactivities. The crystal structures of the compounds LiNi3B1.8 and Li2.8Ni16B8 have been re-investigated by a combination of single-crystal X-ray/synchrotron powder diffraction, solid-state 7Li and 11B NMR spectroscopies, and scanning transmission electron microscopy. This has allowed the determination of fine structural details, including the split position of Ni sites and the ordering of B vacancies. Lastly, field-dependent and temperature-dependent magnetization measurements are consistent with spin-glass behavior for both samples.},
doi = {10.1002/chem.201805398},
journal = {Chemistry - A European Journal},
number = 16,
volume = 25,
place = {United States},
year = {2019},
month = {1}
}

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Cited by: 5 works
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    journal, January 2007


    Rediscovering the Crystal Chemistry of Borides
    journal, March 2017

    • Akopov, Georgiy; Yeung, Michael T.; Kaner, Richard B.
    • Advanced Materials, Vol. 29, Issue 21
    • DOI: 10.1002/adma.201604506

    Single crystal growth from light, volatile and reactive materials using lithium and calcium flux
    journal, April 2014


    “Design” in der chemischen Synthese – eine Fiktion?
    journal, May 2006


    Die thermomagnetischen Eigenschaften der Elemente
    journal, January 1910


    Crystal structures and constitution of the binary system iridium-boron
    journal, August 2015


    Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis
    journal, January 2017


    Homonuclear dipolar recoupling of half-integer spin quadrupolar nuclei: Techniques and applications
    journal, September 2009


    Ultraincompressible, Superhard Materials
    journal, July 2016


    Two-dimensional solid-state nutation NMR of half-integer quadrupolar nuclei
    journal, January 1987

    • Kentgens, A. P. M.; Lemmens, J. J. M.; Geurts, F. M. M.
    • Journal of Magnetic Resonance (1969), Vol. 71, Issue 1
    • DOI: 10.1016/0022-2364(87)90127-2

    NMR nomenclature. Nuclear spin properties and conventions for chemical shifts(IUPAC Recommendations 2001)
    journal, January 2001

    • Harris, Robin K.; Becker, Edwin D.; Cabral de Menezes, Sonia M.
    • Pure and Applied Chemistry, Vol. 73, Issue 11
    • DOI: 10.1351/pac200173111795

    Die Kristallstrukturen von Li3Ni20B6 und Li~3Ni16B~8
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    Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds
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    • Park, Hyounmyung; Misse, Patrick R. N.; Mbarki, Mohammed
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    • Zeitschrift für anorganische und allgemeine Chemie, Vol. 632, Issue 10-11
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    Boron-Dependency of Molybdenum Boride Electrocatalysts for the Hydrogen Evolution Reaction
    journal, April 2017

    • Park, Hyounmyung; Encinas, Andrew; Scheifers, Jan P.
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    • DOI: 10.1002/ange.201611756

    A Simple, General Synthetic Route toward Nanoscale Transition Metal Borides
    journal, February 2018

    • Jothi, Palani R.; Yubuta, Kunio; Fokwa, Boniface P. T.
    • Advanced Materials, Vol. 30, Issue 14
    • DOI: 10.1002/adma.201704181

    Crystallographic Computing System JANA2006: General features
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    • Petříček, Václav; Dušek, Michal; Palatinus, Lukáš
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    • DOI: 10.1515/zkri-2014-1737

    Crucible-Free Preparation of Transition-Metal Borides: HfB 2
    journal, August 2017

    • Henschel, Anne; Binnewies, Michael; Schmidt, Marcus
    • Chemistry - A European Journal, Vol. 23, Issue 63
    • DOI: 10.1002/chem.201703181

    Preparation and properties of a new ternary phase Mg3+Ni7−B2 (0.17≤x≤0.66) and its Cu-doping effect
    journal, March 2015


    Understanding Fluxes as Media for Directed Synthesis: In Situ Local Structure of Molten Potassium Polysulfides
    journal, May 2012

    • Shoemaker, Daniel P.; Chung, Duck Young; Mitchell, J. F.
    • Journal of the American Chemical Society, Vol. 134, Issue 22
    • DOI: 10.1021/ja303047e

    Superconductivity at 39 K in magnesium diboride
    journal, March 2001

    • Nagamatsu, Jun; Nakagawa, Norimasa; Muranaka, Takahiro
    • Nature, Vol. 410, Issue 6824
    • DOI: 10.1038/35065039

    Boron: Elementary Challenge for Experimenters and Theoreticians
    journal, November 2009

    • Albert, Barbara; Hillebrecht, Harald
    • Angewandte Chemie International Edition, Vol. 48, Issue 46
    • DOI: 10.1002/anie.200903246

    Facile Synthesis of Ba 1– x K x Fe 2 As 2 Superconductors via Hydride Route
    journal, November 2014

    • Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.
    • Journal of the American Chemical Society, Vol. 136, Issue 48
    • DOI: 10.1021/ja509907r

    Crystal structure of a Cu3Au-type compound CeRh3B0.5 studied by high-resolution electron microscopy
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    journal, March 2010


    “Design” in Chemical Synthesis—An Illusion?
    journal, May 2006

    • Jansen, Martin; Schön, J. Christian
    • Angewandte Chemie International Edition, Vol. 45, Issue 21
    • DOI: 10.1002/anie.200504510

    Boron-Dependency of Molybdenum Boride Electrocatalysts for the Hydrogen Evolution Reaction
    journal, April 2017

    • Park, Hyounmyung; Encinas, Andrew; Scheifers, Jan P.
    • Angewandte Chemie International Edition, Vol. 56, Issue 20
    • DOI: 10.1002/anie.201611756

    Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    journal, July 1996


    Magnetocaloric Effect in AlFe 2 B 2 : Toward Magnetic Refrigerants from Earth-Abundant Elements
    journal, June 2013

    • Tan, Xiaoyan; Chai, Ping; Thompson, Corey M.
    • Journal of the American Chemical Society, Vol. 135, Issue 25
    • DOI: 10.1021/ja404107p

    Perspective: Toward “synthesis by design”: Exploring atomic correlations during inorganic materials synthesis
    journal, May 2016

    • Soderholm, L.; Mitchell, J. F.
    • APL Materials, Vol. 4, Issue 5
    • DOI: 10.1063/1.4952712

    Chemical and Electrochemical Lithiation of van der Waals Tetrel‐Arsenides
    journal, April 2019

    • Mark, Justin; Hanrahan, Michael P.; Woo, Katherine E.
    • Chemistry – A European Journal, Vol. 25, Issue 25
    • DOI: 10.1002/chem.201900339