Journal Article

FZJ-2016-04689

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Tuning the surface electronic structure of a Pt $_{3}$ Ti(111) electro catalyst

Paßens, M.FZJ* ; Caciuc, V.FZJ* ; Atodiresei, N. (Corresponding author)FZJ* ; Moors, M.FZJ* ; Blügel, S.FZJ* ; Waser, R.FZJ* ; Karthäuser, S.FZJ*

2016
RSC Publ. Cambridge

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Please use a persistent id in citations: http://hdl.handle.net/2128/12281  doi:10.1039/C5NR08420B

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.

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Contributing Institute(s):

1. Elektronische Materialien (PGI-7)
2. Quanten-Theorie der Materialien (IAS-1)

Research Program(s):

1. 524 - Controlling Collective States (POF3-524) (POF3-524)

Appears in the scientific report 2016

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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