Support-mediated activation and deactivation of Pt thin films
Valentino R. Cooper, Alexie M. Kolpak, Yashar Yourdshahyan and, Andrew M. Rappe

TL;DR
This study uses ab initio methods to analyze how interface charge transfer and bonding influence CO adsorption on Pt films supported by alpha-alumina, revealing ways to tune Pt reactivity.
Contribution
It demonstrates how interface modifications and film thickness control can significantly alter CO adsorption on Pt, providing insights for catalyst design.
Findings
Charge transfer and covalent bonding govern interfacial interactions.
Modifying the interface affects CO adsorption strength.
Pt film thickness influences reactivity and adsorption capacity.
Abstract
Using ab initio methods, we examine the the charge distribution at the interface of alpha-alumina-supported Pt films, and we consider the influence of this interface on CO adsorption. We demonstrate that a combination of electrostatic charge transfer and covalent bonding governs the interfacial interactions, and that these interactions play an important role in the metal reactivity. By modifying the interface and varying the Pt film thickness over a nanoscale range, CO adsorption can be significantly enhanced or diminished. These observations could be used to tune the reactivity of Pt particles.
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