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Chemistry, Physics and Astronomy, Ames Laboratory

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Inorganic Chemistry Frontiers




Here we show the effect of Li chemical pressure to the structure of layered polymorphs RT-LiNiB and HT-LiNiB, 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 shed light on the complexity of real superstructures of these compounds determined from high resolution synchrotron powder diffraction data.


This is a manuscript of an article 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 (2020). DOI: 10.1039/D0QI01150A. Posted with permission.

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This work is licensed under a Creative Commons Attribution-Noncommercial 3.0 License

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