High Throughput Data-Driven Design of Laser-Crystallized 2D MoS₂ Chemical Sensors: A Demonstration for NO₂ Detection

Abstract

High throughput characterization and processing techniques are becoming increasingly necessary to navigate multivariable, data-driven design challenges for sensors and electronic devices. For two-dimensional materials, device performance is highly dependent upon a vast array of material properties including the number of layers, lattice strain, carrier concentration, defect density, and grain structure. In this work, laser crystallization was used to locally pattern and transform hundreds of regions of amorphous MoS2 thin films into 2D 2H-MoS2. A high throughput Raman spectroscopy approach was subsequently used to assess the process-dependent structural and compositional variations for each illuminated region, yielding over 6000 distinct nonresonant, resonant, and polarized Raman spectra. The rapid generation of a comprehensive library of structural and compositional data elucidated important trends between structure–property processing relationships involving laser-crystallized MoS2, including the relationships between grain size, grain orientation, and intrinsic strain. Moreover, extensive analysis of structure/property relationships allowed for intelligent design and evaluation of major contributions to device performance in MoS2 chemical sensors. In particular, it is found that NO2 sensor performance is strongly dependent on the orientation of the MoS2 grains relative to the crystal plane.

Exfoliation procedure-dependent optical properties of solution deposited MoS2 films

“…The E 2g and A 1g peak frequencies can be related to the amount of strain and carrier doping within the flakes 77 , 78 . Given the amount of additional peaks present under resonant Raman, non-resonant Raman was used for this purpose to simplify peak-fitting (Fig.…”

Controllable Epitaxial-like Growth of Bi2S3/MoS2 Hybrid Aerogel Nanostructures for Sensitive NO2 Detection at Room Temperature

“…Nevertheless, the general pure MoS 2 material still faces the challenge of poor recovery performance, poor selectivity, and low sensitivity. Recently, several strategies at the nanoscale, involving single-atom doping, , organic modification, , defect engineering, , as well as heterogeneous structure construction, , have been demonstrated applicable in effectively improving the sensing performance. Among them, the construction of heterogeneous interfaces from microscopics can effectively realize charge separation and adjust the charge concentration at the interface, so as to further improve the overall performance of composite sensors.…”

Exploiting Laser‐Induced Oxidation Phase Diagrams for Multifunctional Titania Thin Films

“…Metal oxides can be synthesized and tailored to exhibit optimal physical and chemical properties for a wide range of applications, including gas sensing, [1][2][3][4][5][6] electronic devices, [7][8][9] and photochemistry. [10][11][12][13][14][15][16][17] Currently, metal oxide thin-film material design often requires several wet-chemistry steps such as sol-gel DOI: 10.1002/adfm.202310469 processes which, while scalable for the synthesis of amorphous films, typically require lengthy heat treatment at high temperatures (>300 °C) to generate crystalline films.…”