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HL: Fachverband Halbleiterphysik
HL 47: 2D Materials VIII – Quantum emitters and defects
HL 47.4: Vortrag
Donnerstag, 12. März 2026, 15:45–16:00, POT/0081
Physical Drivers of Metal Adsorption at 2D Interfaces for Memristive Applications — •Manoj Dey1, Hamid Mehdipour1,2, Peter Kratzer2, and Matthias Scheffler1 — 1The NOMAD Laboratory at the FHI of the Max Planck Society, Berlin — 2Faculty of Physics, University of Duisburg-Essen, Duisburg
Two-dimensional (2D) materials with engineered defects are emerging as promising candidates for next-generation memristors. In these “atomristors,” resistive switching (RS) arises from atomic-scale processes at the electrode-2D interface. Experiments show that adsorption and desorption of electrode metal atoms at vacancies play a key role in RS [1]. Here, we combine hybrid density functional theory with many-body dispersion corrections and the Sure Independence Screening and Sparsifying Operator (SISSO) method [2] to study metal adsorption on transition-metal dichalcogenides at gold interfaces. SISSO provides a predictive model for adsorption energies and uncovers the fundamental physical factors driving RS. Our sensitivity analysis shows how orbital hybridization and bonding interactions dominate the behavior, offering simple heuristics for understanding the atomic processes. We also build a materials-property map that highlights promising candidates and connects our predictions with experimentally demonstrated devices. Together, these results link fundamental material descriptors to RS behavior and offer clear guidance for designing future 2D atomristors.
[1] Ruijing Ge et al., Adv. Mater., 33, 2007792 (2021).
[2] R. Ouyang et al., Phys. Rev. Materials, 16, 2, 083802 (2018).
Keywords: 2D materials; Symbolic regression; Density functional theory; Memristor