Campus Units
Chemistry, Physics and Astronomy, Ames Laboratory
Document Type
Article
Publication Version
Published Version
Publication Date
2021
Journal or Book Title
Inorganic Chemistry Frontiers
Volume
8
Issue
7
First Page
Inorganic Chemistry Frontiers
Last Page
1685
DOI
10.1039/D0QI01150A
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.
Creative Commons License
This work is licensed under a Creative Commons Attribution-Noncommercial 3.0 License
Copyright Owner
the Partner Organisations
Copyright Date
2021
Language
en
File Format
application/pdf
Recommended Citation
Gvozdetskyi, Volodymyr; Sun, Yang; Zhao, Xin; Bhaskar, Gourab; Carnahan, Scott L.; Harmer, Colin P.; Zhang, Feng; Ribeiro, Raquel A.; Canfield, Paul C.; Rossini, Aaron J.; Wang, Cai-Zhuang; Ho, Kai-Ming; and Zaikina, Julia V., "Lithium nickel borides: evolution of [NiB] layers driven by Li pressure" (2021). Chemistry Publications. 1279.
https://lib.dr.iastate.edu/chem_pubs/1279
Comments
This article is published as Gvozdetskyi, Volodymyr, Yang Sun, Xin Zhao, Gourab Bhaskar, Scott L. Carnahan, Colin P. Harmer, Feng Zhang, Raquel Ribeiro, Paul Canfield, Aaron J Rossini, Cai Zhuang Wang, Kai Ming Ho, and Julia V. Zaikina. "Lithium Nickel Borides: evolution of MBene layers driven by Li pressure." Inorganic Chemistry Frontiers 8, no. 7 (2021): 1675. DOI: 10.1039/D0QI01150A. Posted with permission.