Issue 7, 2021

Lithium nickel borides: evolution of [NiB] layers driven by Li pressure

Abstract

Here we show the effect of Li chemical pressure on the structure of layered polymorphs with LiNiB composition: RT-LiNiB (room temperature polymorph) and HT-LiNiB (high temperature polymorph), resulting in stabilization of the novel RT-Li1+xNiB (x ∼ 0.17) and HT-Li1+yNiB (y ∼ 0.06) phases. Depending on the synthesis temperature and initial Li content, precisely controlled via hydride route synthesis, [NiB] layers undergo structural deformations, allowing for extra Li atoms to be accommodated between the layers. In situ variable temperature synchrotron and time-dependent laboratory powder X-ray diffraction studies suggest Li step-wise deintercalation processes: RT-Li1+xNiB → RT-LiNiB (high temp.) → LiNi3B1.8 → binary Ni borides and HT-Li1+yNiB → HT-LiNiB (high temp.) → LiNi3B1.8 → binary Ni borides. Quantum chemistry calculations and solid state 7Li and 11B NMR spectroscopy shed light on the complexity of real superstructures of these compounds determined from high resolution synchrotron powder diffraction data.

Graphical abstract: Lithium nickel borides: evolution of [NiB] layers driven by Li pressure

Supplementary files

Article information

Article type
Research Article
Submitted
22 9 2020
Accepted
16 11 2020
First published
25 11 2020
This article is Open Access
Creative Commons BY-NC license

Inorg. Chem. Front., 2021,8, 1675-1685

Lithium nickel borides: evolution of [NiB] layers driven by Li pressure

V. Gvozdetskyi, Y. Sun, X. Zhao, G. Bhaskar, S. L. Carnahan, C. P. Harmer, F. Zhang, R. A. Ribeiro, P. C. Canfield, A. J. Rossini, C. Wang, K. Ho and J. V. Zaikina, Inorg. Chem. Front., 2021, 8, 1675 DOI: 10.1039/D0QI01150A

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