Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors

S Pan, T Huang, A Vazan, Z Liang, C Liu… - Nature …, 2023 - nature.com
Abstract Magnesium Oxide (MgO) and water (H2O) are abundant in the interior of planets.
Their properties, and in particular their interaction, significantly affect the planet interior …

Molecular models and simulations of layered materials

RT Cygan, JA Greathouse, H Heinz… - Journal of Materials …, 2009 - pubs.rsc.org
The micro-to nano-sized nature of layered materials, particularly characteristic of naturally
occurring clay minerals, limits our ability to fully interrogate their atomic dispositions and …

Structure of hydrated gibbsite and brucite edge surfaces: DFT results and further development of the ClayFF classical force field with metal–O–H angle bending terms

M Pouvreau, JA Greathouse, RT Cygan… - The Journal of …, 2017 - ACS Publications
Molecular scale understanding of the structure and properties of aqueous interfaces with
clays, metal (oxy-) hydroxides, layered double hydroxides, and other inorganic phases is …

Determination of layered nickel hydroxide phases in materials disordered by stacking faults and interstratification

K Lawson, SP Wallbridge, AE Catling… - Journal of Materials …, 2023 - pubs.rsc.org
The formation of stacking faults and phase interstratification disorder in layered nickel (II)
hydroxides during the chemical precipitation synthesis of materials using nickel (II) nitrate …

Synthesis and electrochemical evaluation of nickel hydroxide nanosheets with phase transition to nickel oxide

M Lee, Y Jang, G Yoon, S Lee, GH Ryu - RSC advances, 2024 - pubs.rsc.org
Transition metal hydroxides are commonly used to develop nanostructures with desired
functionalities by controlling their size, morphology, and structure. In this study, nickel …

Thermal characterization and kinetic analysis of nesquehonite, hydromagnesite, and brucite, using TG–DTG and DSC techniques

H Ren, Z Chen, Y Wu, M Yang, J Chen, H Hu… - Journal of Thermal …, 2014 - Springer
Nesquehonite, hydromagnesite, and brucite are important precursors for the preparation of
high-purity magnesia (MgO) using magnesium resources from salt lake as raw materials. In …

Change in compressibility of δ-AlOOH and δ-AlOOD at high pressure: A study of isotope effect and hydrogen-bond symmetrization

A Sano-Furukawa, H Kagi, T Nagai… - American …, 2009 - pubs.geoscienceworld.org
The compression behaviors of δ-AlOOH and δ-AlOOD were investigated under quasi-
hydrostatic conditions at pressures up to 63.5 and 34.9 GPa, respectively, using results from …

Unusually large shear wave anisotropy for chlorite in subduction zone settings

M Mookherjee, D Mainprice - Geophysical Research Letters, 2014 - Wiley Online Library
Using first principle simulations we calculated the elasticity of chlorite. At a density ρ~ 2.60 g
cm− 3, the elastic constant tensor reveals significant elastic anisotropy: VP~ 27%, VS1 …

High-temperature structural disorders stabilize hydrous aluminosilicates in the mantle transition zone

B Wang, J Liu, Y Zhang, B Nie, W Yang, J Hao… - Nature …, 2025 - nature.com
Hydrous aluminosilicates are important deep water-carriers in sediments subducting into the
deep mantle. To date, it remains enigmatic how hydrous aluminosilicates withstand …

Structure and elasticity of serpentine at high-pressure

M Mookherjee, L Stixrude - Earth and Planetary Science Letters, 2009 - Elsevier
Serpentines occur in the subduction zone settings, both along the slab and within the mantle
wedge, they are candidates for transporting water in to the deep earth. Their presence is …