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Understanding Memristive Behavior: An Atomistic Study of the Influence of Grain Boundaries on Surface and Out-of-Plane Diffusion of Metallic Atoms
Atomic migration from metallic contacts, and subsequent filament formation, is recognised as a prevailing mechanism leading to resistive switching in memristors based on two-dimensional materials (2DMs). This study presents a detailed atomistic examination of the migration of different metal atoms across the grain boundaries (GBs) of 2DMs, employing Density Functional …