Mechanical properties of TiO<sub>2</sub>/carboxylic-acid interfaces from first-principles calculations

Sellschopp, Kai; Vonbun-Feldbauer, Gregor B.

doi:10.1039/d3nr01045g

Nanoscale

2023

DOI: 10.1039/d3nr01045g

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Mechanical properties of TiO₂/carboxylic-acid interfaces from first-principles calculations

Kai Sellschopp,

Gregor B. Vonbun-Feldbauer

Abstract: Fundamental insights into the atomistic processes during interface failure in metal-oxide-organic nanocomposites are provided based on ab-initio calculations.

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Mechanical properties of TiO₂/carboxylic-acid interfaces from first-principles calculations

Abstract: Fundamental insights into the atomistic processes during interface failure in metal-oxide-organic nanocomposites are provided based on ab-initio calculations.

Cited by 0 publications

References 52 publications

No citations

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Mechanical properties of TiO2/carboxylic-acid interfaces from first-principles calculations

Abstract: Fundamental insights into the atomistic processes during interface failure in metal-oxide-organic nanocomposites are provided based on ab-initio calculations.

Cited by 0 publications

References 52 publications

No citations

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Mechanical properties of TiO₂/carboxylic-acid interfaces from first-principles calculations