Van der Waals single-layer materials are characterized by an inherent extremely low bending rigidity and therefore are prone to nanoscale structural modifications due to substrate interactions. Such interactions can induce excess charge concentration, conformational ripples, and residual mechanical strain. In this work, we employed spatially resolved Raman and photoluminescence (PL) images to investigate strain and doping inhomogeneities in a single layer exfoliated molybdenum disulphide crystal. We have found that correlations between the spectral parameters of the most prominent Raman bands A1′ and E′ enable us to decouple and quantify strain and charge doping effects. In comparison with Atomic Force Microscopy (AFM) topography, we show that the spatial distribution of the position of the A− -trion PL peak is strain sensitive and its linewidth can capture features smaller than the laser spot size. The presented optical analysis may have implications in the development of high-quality devices based on two-dimensional materials since structural and electronic modifications affect considerably their carrier mobility and conductivity.

Single- and bi-layer MoS ₂ are two-dimensional semiconductors able to withstand very large deformations before failure, standing out as suitable templates for strain engineering applications and flexible electronics. It is imperative, for the proper integration of this material in practical applications, that the relationship between material property and strain is well understood. Two dimensional MoS ₂ crystals fabricated by chemical vapor deposition or micromechanical exfoliation are transferred onto flexible substrates and subjected to biaxial tension on a carefully designed and assessed loading stage with high accuracy and control. The successful stress transfer from substrate to the overlying 2D crystal is identified by in-situ monitoring of the strain-induced phonon frequency and photoluminescence peak shifts. Reliable values for the mode Grüneisen parameters and exciton deformation potentials were obtained by studying a significant number of crystals. The experimental results are backed by density functional theory calculations and are in good agreement with the experiments. This work highlights the potential of these materials in strain engineering applications and gives accurate values for single- and bi-layer MoS ₂ thermomechanical parameters.

A controlled and eco-friendly, scalable CVD method for the production of single and few layer MoS ₂ crystals is proposed. The MoS ₂ crystals are fabricated at atmospheric pressure through the reaction of pre-deposited sodium molybdate (Na ₂ MoO ₄ ) in solution and elemental sulfur at 800 °C, offering the flexibility to achieve two growth regimes -either homogeneously distributed single layer MoS ₂ crystals or continuous MoS ₂ films- by varying the Na ₂ MoO ₄ solution concentration. In particular, for low precursor concentrations, isolated single layer MoS ₂ crystals with controllable mean lateral size were produced. Higher concentrations resulted in continuous single layer films grown in tandem with highly oriented few layer epitaxial domains. The area of the monolayer relative to the few-layer domains can be adjusted. The significant impact on the optical properties of single layer MoS ₂ crystals due to the growth induced strain is also examined. The grown monolayer crystals are found to experience ~0.3% biaxial tensile strain relative to the exfoliated ones, while a strain relief of 0.6% is measured when these CVD crystals are transferred to another plastic substrate. Moreover, in their photoluminescence (PL) spectra, the neutral exciton and negative trion peaks are shifted linearly with biaxial strain. By correlating PL and Raman spectroscopies the deformation potential of the direct optical transition in single layer MoS ₂ can be determined.