Search Results - "Gramatte, Simon"
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Atomistic Simulations of the Crystalline-to-Amorphous Transformation of γ‑Al2O3 Nanoparticles: Delicate Interplay between Lattice Distortions, Stresses, and Space Charges
Published in Langmuir (09-05-2023)“…The size-dependent phase stability of γ-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For…”
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Atomistic Simulations of the Crystalline-to-Amorphous Transformation of γ-Al 2 O 3 Nanoparticles: Delicate Interplay between Lattice Distortions, Stresses, and Space Charges
Published in Langmuir (09-05-2023)“…The size-dependent phase stability of γ-Al O was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the…”
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Effect of hydrogen on the chemical state, stoichiometry and density of amorphous Al 2 O 3 films grown by thermal atomic layer deposition
Published in Surface and interface analysis (01-05-2024)“…Amorphous oxide thin films grown by thermal atomic layer deposition (ALD) typically contain high impurity concentrations of hydrogen, which affects both…”
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Effect of hydrogen on the chemical state, stoichiometry and density of amorphous Al2O3 films grown by thermal atomic layer deposition
Published in Surface and interface analysis (01-05-2024)“…Amorphous oxide thin films grown by thermal atomic layer deposition (ALD) typically contain high impurity concentrations of hydrogen, which affects both…”
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Journal Article -
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Effect of hydrogen on the local chemical bonding states and structure of amorphous alumina by atomistic and electrostatic modeling of Auger parameter shifts
Published 15-08-2024“…This study discloses the effect of hydrogen impurities on the local chemical bonding states and structure of amorphous alumina films by predicting measured…”
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Atomistic simulations of the crystalline-to-amorphous transformation of gamma-Al2O3 nanoparticles: delicate interplay between lattice distortions, stresses, and space charges
Published 29-11-2022“…The size-dependent phase stability of gamma-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K…”
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Journal Article