Pressure Induced Hydrogen Order–Disorder Transition in β-Ni(OH)<sub>2</sub>

Sharad Babu Pillai; Boby Joseph; Deepak Upadhyay; Carlo Marini; Prafulla K. Jha

doi:10.1021/acs.jpcc.0c11012

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Pressure Induced Hydrogen Order–Disorder Transition in β-Ni(OH)₂

Sharad Babu Pillai Boby Joseph Deepak Upadhyay Carlo Marini Prafulla K. Jha

Year: 2021 Journal: The Journal of Physical Chemistry C Vol: 125 (4)Pages: 2785-2792 Publisher: American Chemical Society

DOI: 10.1021/acs.jpcc.0c11012

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Abstract

Here we address the challenging problem of pressure induced hydrogen sublattice disordering in layered hydroxides using synchrotron X-ray powder diffraction (XRPD) and first-principles calculations...

Keywords:

Powder diffraction Supercell Density functional theory Hydrogen Lattice (music) Crystallography Diffraction Relaxation (psychology) Lattice constant Chemistry Ground state Materials science Synchrotron radiation Computational chemistry Atomic physics Physics

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Pressure Induced Hydrogen Order–Disorder Transition in β-Ni(OH)₂

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