QMKPFM
Quantum approach to modelling high resolution Kelvin Probe Force Microscopy
This is a project funded by European Union via European Research Council under project no. 854060. One of the main output of the project is this KPFM_sim code, that allows for (automated) calculation of the non-contact Atomic Force Microscopy (nc-AFM) and (still non-contact) Kelvin Probe Force Microcopy (KPFM) on a Density Functional Theory (DFT) level.
The project was (most) active in between 1/2020 -- 3/2022 .
Kelvin probe force microscopy (KPFM) is one of the latest scanning probe microscopy techniques that uses a very sharp tip to measure the electrostatic forces and charge transfer on the surface of a sample. However, the theory that underlies such measurements and all physical interactions between the tip and the sample are not well understood, especially in very close scans. Funded by the Marie Skłodowska-Curie programme, the QMKPFM project will use density functional theory calculations to reveal the unknown physics of close KPFM scans. The work will enable researchers to derive additional information about the composition of the local structures on the surface of a sample.
Kelvin Probe Force Microscopy (KPFM) is one of the newest scanning probe microscopy techniques, that enables us to obtain information about electrostatics and charge transfer on a surface, measured via very sharp tip moving above a sample. However, the theory behind the KPFM measurements and all physical interactions between the tip and sample are not fully understood, especially for very close scans. We plan to use density functional theory calculations to reveal the unknown physics of close KPFM scans. We will prepare multiscale simulation package for the KPFM, which will work on quantum theory level as well as simplified fast mechanistic model level and which will cover a wide range of experimental conditions. This work will enable us to get additional information about the physics going on the scanned sample from the KPFM measurements and to employ KPFM as an additional source of information for structural identification. Finally, it can lead to general theory for chemical resolution in scanning probe microscopy.
The video abstract together with other (possibly interesting) videos and video-posters are freely available on the QMKPFM youtube video channel.
The results of this project were disseminated and communicated on these conferences and workshops:
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08/2019 Nc-AFM 22, Regensburg, Germany – conference on high resolution non-contact atomic force microscopy concerning topics of surface science, physics and on-surface chemistry – POSTER
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06/2020 FHI-aims meeting, on-line (Germany & USA) – meeting of developers and users of the FHI-aims code for DFT and quantum chemical computations connecting people from material science, computational physics and chemistry – POSTER
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10/2020 Nanoscience Days, on-line (Finland) – conference on nanoscience concerning topics from biology, medicine and physics – POSTER
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03/2021 DPG spring meeting, on-line (Germany) – conference on material science – POSTER
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03/2021 Physics Days, on-line (Finland) – conference on general physics in Finland – TALK
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04/2021 Seminar of Department of Surface and Plasma Science, Charles University, on-line (Czech Republic) – TALK
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12/2021 MRS autumn meeting, (USA) – conference on Material Science – TALK
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01/2022 Seminar of Institute of Theoretical chemistry, Ulm University, on-line (Germany) – TALK
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03/2022 Physics Days, on-line (Finland) – conference on general physics in Finland – TALK
ondrej(dot)krejci(at)aalto(dot)fi -- Ondrej Krejci, Aalto University; Last updates 3/2022