Computational Design of Alloy Nanostructures for Optical Sensing of Hydrogen

• Published in: ACS applied nano materials Vol. 5; no. 8; pp. 10225 - 10236
• Main Authors: Ekborg-Tanner, Pernilla, Rahm, J. Magnus, Rosendal, Victor, Bancerek, Maria, Rossi, Tuomas P., Antosiewicz, Tomasz J., Erhart, Paul
• Format: Journal Article
• Language: English
• Published: American Chemical Society 26.08.2022
• Subjects: dielectric function; hydrogen sensing; localized surface plasmon resonance; nanoparticles; nanoplasmonics; palladium alloys; nanoplasmonics; palladium alloys; nanoparticles; localized surface plasmon resonance; hydrogen sensing; dielectric function

Pd nanoalloys show great potential as hysteresis-free, reliable hydrogen sensors. Here, a multiscale modeling approach is employed to determine optimal conditions for optical hydrogen sensing using the Pd–Au–H system. Changes in hydrogen pressure translate to changes in hydrogen content and eventual...