QMKPFM · Quantum approach to modelling high resolution Kelvin Probe Force Microscopy
Horizon 2020 — Marie Skłodowska-Curie Actions
- Duration
- 2020-01-01 → 2022-03-04
- EU contribution
- €202,681
- Participants
- 1
- Scheme
- MSCA-IF-EF-ST
Lines connect the coordinator with its partners.
Results in brief
Quantum approach to modelling high resolution Kelvin Probe Force Microscopy
In this project we were focusing on understanding physics of exceptionally precise surface physics measurements proceeded with Scanning Probe Microscopy through computer modelling and quantum physics and chemistry computations. These measurements done at extremely stable conditions such as ultra-high vacuum, ensuring unchanging of the surface on the atomic scale for many hours, and temperature lower than 10 Kelvins. Together with careful preparation of the Scanning Probe Microscope (SPM) tip via appending a flexible and non-reactive apex to it – like a CO molecule or Xe atom- a resolution of individual atoms in organic molecules is possible. Our research focused on the interaction between the tip apex and sample inn the presence of electrostatic field, where the experimental data have not been understood - these measurements are called Kelvin Probe Force Microscopy (KPFM). Better understanding of these measurements, leads towards getting more information from these measurements and in the long term can make SPM into widely usable tool for analysis of chemical compounds on surfaces with extraordinary spatial and chemical resolution. This goes very well with a contemporary trend of usage of on-surface synthesis for new promising compounds and materials, that cannot be synthetized otherwise. Thus, the results of this projects is also contributing to discovery of new materials and enhancement of characterization methods.
Data: CORDIS, © European Union
Project objective
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.
Original text from CORDIS.
Participants
- AALTO KORKEAKOULUSAATIO SR · EspooCoordinatorFinland
Links
Data: CORDIS, © European Union