Ferroelectric PbTiO<inf>3</inf>-supported Pt films as tunable catalysts

Alexie M. Kolpak, Ilya Grinberg, Andrew M. Rappe

Research output: Contribution to journalArticlepeer-review


We present a novel method for dynamical control of surface structure and reactivity in oxide-supported metal catalysts. Using density functional theory, we demonstrate that switching the polarization direction of a ferroelectric PbTiO3 support can dramatically change the chemisorption energies of atoms and molecules on an ultrathin Pt(100) film. Furthermore, we show that the substrate polarization direction alters the barriers to dissociative chemisorption of CO, O2, N2, and NO. Consequently, we predict large shifts in the optimal reaction temperatures for a number of important reactions in which dissociative chemisorption of these molecules is the rate limiting step. Our results suggest exciting possibilities for external control of catalytic activity in real time.
Original languageEnglish
JournalACS National Meeting Book of Abstracts
StatePublished - 31 Dec 2007


Dive into the research topics of 'Ferroelectric PbTiO<inf>3</inf>-supported Pt films as tunable catalysts'. Together they form a unique fingerprint.

Cite this