MoS2 FET-based Sensor Simulation

Postdocs, Dr. Gabriele Boschetto and  Dr. Stefania Carapezzi share how multiscale Synopsys atomistic (QuantumATK) to TCAD (Sentaurus Device) modeling workflow is used to predict the chemresistive response of the designed MoS2 FET-based sensor for the detection of cortisol.

DFT-D2 method in QuantumATK is used to calculate band gaps, effective masses, relative permittivities, adsorption energies and charge transfer for different Pt cluster sizes on MoS₂ surface with and without adsorbed cortisol. Then DFT calculated parameters are used as an input to Sentaurus Device simulations of MoS₂-FET to predict device response, i.e., I_DS-V_GS, with respect to the Pt cluster size, cluster density and cluster occupancy with cortisol.

Publication can be found here: https://pubs.acs.org/doi/10.1021/acsaelm.2c01722

Video can be found here: https://youtu.be/BeDbeDztQeY