Lithium nickel borides: evolution of [NiB] layers driven by Li pressure
Lithium nickel borides: evolution of [NiB] layers driven by Li pressure
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DOI：
10.1039/d0qi01150a
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发表时间：
2020
影响因子：
7
通讯作者：
V. Gvozdetskyi;Yang Sun;Xin Zhao;G. Bhaskar;Scott L Carnahan;Colin P. Harmer;Feng Zhang;R. Ribeiro;P. Canfield;Aaron J. Rossini;Caizhuang Wang;K. Ho;J. Zaikina
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作者：
V. Gvozdetskyi;Yang Sun;Xin Zhao;G. Bhaskar;Scott L Carnahan;Colin P. Harmer;Feng Zhang;R. Ribeiro;P. Canfield;Aaron J. Rossini;Caizhuang Wang;K. Ho;J. Zaikina
在这里，我们展示了Li化学压力对具有LiNiB组成的层状多晶型：RT-LiNiB(室温多晶型)和HT-LiNiB(高温多晶型)的结构的影响，导致了新的RT-Li1+xNiB(x∼0.17)和HTLi1+yNiB(y∼0.06)相的稳定。根据合成温度和初始Li含量，通过氢化物路线合成精确控制，[NiB]层经历结构变形，允许额外的Li原子被容纳在层之间。原位变温同步加速器和随时间变化的实验室粉末X射线衍射研究表明，Li的分步脱嵌过程是：RT-Li1+xNiB→RT-LiNiB(高温)→LiNi3B1.8→二元Ni硼化物和HT-Li1+yNiB→HT-LiNiB(高温)→LiNi3B1.8→二元Ni硼化物。量子化学计算和固体7Li和11B核磁共振谱揭示了这些化合物的真实超结构的复杂性，这些结构是由高分辨率同步辐射粉末衍射数据确定的。学科工程物理|无机化学|材料化学评论本文发表为格沃兹代茨基、Volodymyr、孙杨、赵欣、Gourab Bhaskar、Scott L.Carnahan、Colin P.Harmer、冯章、拉克尔·里贝罗、保罗·坎菲尔德、Aaron J Rossini、蔡庄、何开明和Julia V.Zaiina。锂镍硼化物：锂压力驱动的MBene层的演化。《无机化学前沿》8，第7期(2021)：1675。DOI：10.1039/D0QI01150A。在获得许可的情况下发布的。知识共享许可本作品受知识共享署名-非商业性3.0许可作者Volodymyr Gvozdeskyi、杨孙、赵欣、Gourab Bhaskar、Scott L.Carnahan、Colin P.Harmer、冯章、Raquel A.Ribeiro、Paul C.Canfield、Aaron J.Rossini、王才壮、何启明和Julia V.Zaiina授权本文可在爱荷华州立大学数字存储库获得：https://lib.dr.iastate.edu/chem_pubs/1279
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. Disciplines Engineering Physics | Inorganic Chemistry | Materials Chemistry 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. Creative Commons License This work is licensed under a Creative Commons Attribution-Noncommercial 3.0 License Authors Volodymyr Gvozdetskyi, Yang Sun, Xin Zhao, Gourab Bhaskar, Scott L. Carnahan, Colin P. Harmer, Feng Zhang, Raquel A. Ribeiro, Paul C. Canfield, Aaron J. Rossini, Cai-Zhuang Wang, Kai-Ming Ho, and Julia V. Zaikina This article is available at Iowa State University Digital Repository: https://lib.dr.iastate.edu/chem_pubs/1279