Uncovering the Atomic Structure of Substitutional Platinum Dopants in MoS<sub>2</sub> with Single-Sideband Ptychography

Author(s)
David Lamprecht, Anna Benzer, Manuel Längle, Mate Capin, Clemens Mangler, Toma Susi, Lado Filipovic, Jani Kotakoski
Abstract

We substitute individual Pt atoms into monolayer MoS2 and study the resulting atomic structures with single-sideband ptychography (SSB) supported by ab initio simulations. We demonstrate that while high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) imaging provides excellent Z-contrast, distinguishing some defect types such as single and double sulfur vacancies remains challenging due to their low relative contrast difference. However, SSB with its nearly linear Z-contrast and high phase sensitivity enables reliable identification of these defect configurations, as well as various Pt dopant structures at significantly lower electron doses. Our findings uncover the precise atomic placement and highlight the potential of SSB for detailed structural analysis of dopant-modified 2D materials while minimizing beam-induced damage, offering new pathways for understanding and engineering atomic-scale features in 2D systems.

Organisation(s)
Physics of Nanostructured Materials, Faculty of Physics
External organisation(s)
Technische Universität Wien
Journal
Nano Letters
Volume
25
Pages
8931-8938
No. of pages
8
ISSN
1530-6984
DOI
https://doi.org/10.1021/acs.nanolett.5c00919
Publication date
06-2025
Peer reviewed
Yes
Austrian Fields of Science 2012
103042 Electron microscopy, 103018 Materials physics, 102009 Computer simulation, 104008 Catalysis
Keywords
ASJC Scopus subject areas
Bioengineering, General Chemistry, General Materials Science, Condensed Matter Physics, Mechanical Engineering
Portal url
https://ucrisportal.univie.ac.at/en/publications/a6bdba29-5544-4edd-a565-9a9d854adec2