Towards Macroporous α-Al2O3—Routes, Possibilities and Limitations
S Carstens, R Meyer, D Enke - Materials, 2020 - mdpi.com
This article combines a systematic literature review on the fabrication of macroporous α-
Al2O3 with increased specific surface area with recent results from our group. Publications …
Al2O3 with increased specific surface area with recent results from our group. Publications …
[HTML][HTML] Exploration and investigation of stable novel Al2O3 by high-throughput screening and density functional theory
R Zhao, Q Fan, R Yang, Y Song, X Yu, S Yun - Journal of Materials …, 2023 - Elsevier
The graph and group theory based random strategy (RG 2) code is employed to obtain three
stable Al 2 O 3 polymorphs (P2 1/c, Pnma-I, and Pnma-II Al 2 O 3) are obtained based on …
stable Al 2 O 3 polymorphs (P2 1/c, Pnma-I, and Pnma-II Al 2 O 3) are obtained based on …
Phase stability and thermal equation of state of δ-AlOOH: Implication for water transportation to the Deep Lower Mantle
In this study, we present new experimental constraints on the phase stability and thermal
equation of state of an important hydrous phase, δ-AlOOH, using synchrotron X-ray …
equation of state of an important hydrous phase, δ-AlOOH, using synchrotron X-ray …
Thermodynamic simulation of the RDX–aluminum interface using ReaxFF molecular dynamics
N Wang, J Peng, A Pang, T He, F Du… - The Journal of …, 2017 - ACS Publications
We use reactive molecular dynamics (RMD) simulations to study the interface between
cyclotrimethylene trinitramine (RDX) and aluminum (Al) with different oxide layers to …
cyclotrimethylene trinitramine (RDX) and aluminum (Al) with different oxide layers to …
Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures
Abstract The Mg-Si-O system is the major Earth and rocky planet-forming system. Here,
through quantum variable-composition evolutionary structure explorations, we have …
through quantum variable-composition evolutionary structure explorations, we have …
[HTML][HTML] Metallic aluminum suboxides with ultrahigh electrical conductivity at high pressure
Aluminum, as the most abundant metallic elemental content in the Earth's crust, usually
exists in the form of alumina (Al 2 O 3). However, the oxidation state of aluminum and the …
exists in the form of alumina (Al 2 O 3). However, the oxidation state of aluminum and the …
Reactive ion beam figuring of optical aluminium surfaces
J Bauer, F Frost, T Arnold - Journal of Physics D: Applied Physics, 2017 - iopscience.iop.org
Ultra-smooth and arbitrarily shaped reflective optics are necessary for further progress in
EUV/XUV lithography, x-ray and synchrotron technology. As one of the most important …
EUV/XUV lithography, x-ray and synchrotron technology. As one of the most important …
Pressure-induced yttrium oxides with unconventional stoichiometries and novel properties
The oxygenic motifs (eg, O 2–, O 2 2–O 2 2–, and O 2–) that are present in compounds have
a substantial effect on their electronic structure and behavior. Herein, first-principles swarm …
a substantial effect on their electronic structure and behavior. Herein, first-principles swarm …
High-Pressure Phase Diagram of the Ti–O System
Titanium oxides are technologically important compounds. The chemistry of the Ti–O system
is quite rich, largely because of the multiple oxidation states that titanium atoms can take. In …
is quite rich, largely because of the multiple oxidation states that titanium atoms can take. In …
[HTML][HTML] Temperature dependency of structure and order evolution in 2D confined oxide films grown on Al substrates using reactive molecular dynamics
ME Trybula, PA Korzhavyi - Vacuum, 2021 - Elsevier
We performed molecular dynamics simulations by using Reactive Force Field method to
study the impact of temperature on the structure, topology and order given in terms of …
study the impact of temperature on the structure, topology and order given in terms of …