A tight-binding atomistic approach for point defects and surfaces applied to the o-Al13Co4 quasicrystalline approximant
Author:
Publisher
Elsevier BV
Subject
Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science
Reference56 articles.
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3. Catalytic properties of Al13TM4 complex intermetallics: Influence of the transition metal and the surface orientation on butadiene hydrogenation;Piccolo;Sci. Tech. Adv. Mater.,2019
4. Non-wetting behavior of Al-Co quasicrystalline approximants owing to their unique electronic structures;Anand;ACS Appl. Mater. Interfaces,2020
5. Impact of structural complexity and disorder on lattice dynamics and thermal conductivity in the o-Al13Co4 phase;Lory;Phys. Rev. B,2020
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1. Hydrogen, Oxygen, and Lead Adsorbates on Al13Co4(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data;Journal of Chemical Theory and Computation;2024-08-19
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