From computation to sensing, two-dimensional materials are revolutionizing the field of nanoscale electronics and devices. They enable the engineering of membranes, circuits and coatings with tailored electronic properties at ultimate, atomic thinness. Yet, the manufacturing processes to obtain these materials are not sufficiently advanced to meet industrial demands. The next step for them to push into the consumer market is the successful, large-scale integration with existing silicon technology. For many two-dimensional materials, this proves challenging due to high synthesis temperatures or low mechanical stability in transfer processes.
Not so for two-dimensional noble-metal chalcogenides: PtSe2 is an exemplary candidate because it can be grown at temperatures below 500 ℃, rendering it suitable for facile integration at the back end of the line. Additionally, it features very high stability with respect to moisture, irradiation, and mechanical strain, high carrier mobilities, and electronic properties that can be fine-tuned with the number of layers. These properties collectively make it a very promising material for free-standing nanoelectromechanical sensors, such as piezoresistive pressure sensors and motion detectors for the Internet of Things.
Unfortunately, one cannot have their cake and eat it too: The broadly tunable properties of PtSe2 lead to challenges in fabricating devices with reproducible performance. This issue can be overcome with sufficient understanding and control of the nanostructure of PtSe2 thin films. The aim of this thesis is to study these nanostructures in depth, employing state-of-the-art density-functional theory and a machine learning approach to get closer to modelling PtSe2 under realistic conditions. Firstly, the family of noble-metal dichalcogenides is introduced and discussed. Secondly, the role of stacking disorder in PtSe2 is taken into account and its impact on electromechanical properties is analyzed. Lastly, a machine learning approach is employed to study edges and surfaces of nanoplatelets of PtSe2, which are the building blocks of polycrystalline thin films. Through these studies, crucial parameters have been identified that need to be controlled during the manufacturing process of PtSe2, and the groundwork to built up large-scale models has been laid out.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:93743 |
| Date | 18 September 2024 |
| Creators | Kempt, Roman |
| Contributors | Heine, Thomas, Miró, Pere, Kuc, Agnieszka Beata, Technische Universität Dresden |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/publishedVersion, doc-type:doctoralThesis, info:eu-repo/semantics/doctoralThesis, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 10.1002/anie.201914886, 10.1002/advs.202201272, 10.1002/sstr.202300222, 10.1039/d2nr00877g, info:eu-repo/grantAgreement/Bundesministerium für Bildung und Forschung/Forschung für neue Mikroelektronik/16ES1121//ForMikro-NobleNEMS/NobleNEMS |
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