title: Tuning the surface electronic structure of a Pt3Ti(111) electro catalyst.
abstract: Increasing the efficiency and stability of bimetallic electro catalysts is particularly important for future clean energy technologies. However, the relationship between the surface termination of these alloys and their catalytic activity is poorly understood. Therefore, we report on fundamental UHV-SPM, LEED, and DFT calculations of the Pt3Ti(111) single crystal surface. Using voltage dependent imaging the surface termination of Pt3Ti(111) was studied with atomic resolution. Combining these images with simulated STM maps based on ab initio DFT calculations allowed us to identify the three upper layers of the Pt3Ti(111) single crystal and their influence upon the surface electronic structure. Our results show that small changes in the composition of the second and third atomic layer are of significant influence upon the surface electronic structure of the Pt3Ti electro catalyst. Furthermore, we provide relevant insights into the dependence of the surface termination on the preparation conditions.
authors: Peter Grünberg Institut (PGI-7) and JARA-FIT, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany. s.karthaeuser@fz-juelich.de.
authors: M
authors: M
authors: Paßens
authors: Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany.
authors: V
authors: V
authors: Caciuc
authors: Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany.
authors: N
authors: N
authors: Atodiresei
authors: Peter Grünberg Institut (PGI-7) and JARA-FIT, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany. s.karthaeuser@fz-juelich.de.
authors: M
authors: M
authors: Moors
authors: Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany.
authors: S
authors: S
authors: Blügel
authors: Peter Grünberg Institut (PGI-7) and JARA-FIT, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany. s.karthaeuser@fz-juelich.de and IWE2 and JARA-FIT, RWTH Aachen University, 52056 Aachen, Germany.
authors: R
authors: R
authors: Waser
authors: Peter Grünberg Institut (PGI-7) and JARA-FIT, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany. s.karthaeuser@fz-juelich.de.
authors: S
authors: S
authors: Karthäuser