So far, substantial progress has been made by the modelling groups, which have established a comprehensive multiscale simulation framework bridging atomistic, device, and circuit levels. First-principles calculations have clarified the role of defects, grain boundaries, and metal intercalation in governing transport and switching in 2D materials, while ferroelectric properties and polarization switching mechanisms have been quantified and mapped onto continuum models. These insights have been integrated into advanced transport simulations through a novel coupling of Wannier-based Hamiltonians with NEGF, enabling self-consistent treatment of field-induced structural and electronic effects. In parallel, compact models and numerical frameworks for memristive and hopping-dominated transport have been developed and validated, providing direct links to experimental observations and enabling system-level simulations of neuromorphic architectures.
The project has achieved significant results on 2D materials based devices in establishing reliable fabrication, characterization, and analysis frameworks for 2D material-based memristive devices. Reproducible process integration has enabled both vertical and lateral architectures based on h-BN and MoS2, combining transfer-based wafer-scale integration with optimized lithography, metal deposition, and etching processes. These developments ensure BEOL compatibility and scalability, while transfer-free sulfurization process provides an additional integration method. Structural analyses (AFM, Raman, TEM) confirm successful material integration and device fabrication. Electrical characterization demonstrates stable and tunable resistive switching across multiple platforms, including both volatile and nonvolatile regimes, multi-level conductance states, low variability, and retention beyond 106 s. Wafer-scale MoS2 devices further validate scalability and reproducibility. Environmental studies reveal a strong dependence of switching on moisture, highlighting its role in electrochemical processes and filament formation. Operando TEM provides direct insight into filament dynamics and transport mechanisms.
The project has further made substantial scientific progress towards its core objectives, demonstrating the successful fabrication and characterization of NbS2-MoS2 patterned heterostructures as the functional basis for scalable low-power field-effect transistors and non-volatile floating-gate memory devices. Key milestones include a programming window of approximately 13.8 V, room-temperature retention extrapolated to ~19 years via Arrhenius analysis, and endurance exceeding 63,000 program/erase cycles. The demonstration of precise conductance modulation through potentiative and depressive voltage pulses further confirms applicability for multi-level data storage and neuromorphic weight updates. These results validate the core hypothesis that scalable TMD nanostructures can deliver competitive memory performance with CMOS-compatible fabrication, representing meaningful scientific and industrial impact with no significant deviations from the DoA. Planned work on 100 nm gate scaling, three-terminal memtransistor arrays, and systematic variability studies will further consolidate both scientific and translational impact.
