NCAFM2023 Programme Booklet

To assist the designing of the experiments and the posterior interpretation of the experimental data, we propose and implement a computational method to simulate the KPFM contrast at close tip-sample distances. Using the proposed model, we confirmed the direct images of the σ -hole on halogenated tetraphenyls (Fig. 2a), the quadrupolar character of a CO decorated tip (Fig. 2b) and the charge distribution of a nitrogen doped nanographene (Fig. 2c).

Fig. 2 A) Schematic description of the acquisition method of the σ -hole KPFM image. B) KPFM simulated image and schematic description of the characterization of a CO decorated tip. C) STM and KPFM experimental images and KPFM simulation of a N doped nanographene. References [1] B. Mallada, A. Gallardo, M. Lamanec, B. de la Torre, V.Špirko, P. Hobza and P. Jelinek, Science 2021 374, 863–867. [2] K. Biswas, J. I Urgel, K. Xu, J. Ma, A. Sánchez‐Grande, P. Mutombo, A. Gallardo, K. Lauwaet, B. Mallada, B. de la Torre, A. Matěj, J. M Gallego, R. Miranda, P. Jelínek, X. Feng, D. Écija, Angewandte Chemie 2021, 133(46), 25755-25760.

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