Research Focus

Our lab specializes in synthesizing and characterizing organic-inorganic metal halide perovskite thin films for use in innovative piezoelectric and triboelectric nanogenerators (TENGs and PENGs) that efficiently convert mechanical energy into electricity. We employ various fabrication methods, such as spin-coating and ligand-assisted precipitation, to create these thin films, with a focus on optimizing their structural and electrical properties. Through doping engineering, we modify the halogen composition within the perovskite structure, aiming to enhance the piezoelectric response and improve energy conversion efficiency. To thoroughly evaluate the materials, we use several advanced characterization techniques, including X-ray diffraction (XRD) for structural analysis, which helps identify lattice strain and crystallinity; piezoresponse force microscopy (PFM) to measure the piezoelectric properties at the nanoscale; and optical spectroscopy to investigate bandgap and absorption properties. We also use scanning electron microscopy (SEM) to examine the surface morphology and grain size, which influence the material's electrical response. After synthesis and characterization, we integrate the perovskite films into flexible polymer scaffolds, such as PDMS, to fabricate nanogenerators that are capable of converting mechanical stress into electrical output, aiming for efficient, scalable energy harvesting applications.

In the simulation section, we use first-principles Density Functional Theory (DFT) to model and predict the behavior of a wide range of materials, including metal halide perovskites, 2D materials, hydrogen storage materials, and other advanced compounds. Our simulations focus on exploring the structural properties of these materials, examining lattice parameters, crystal structures, and the effects of substitutions or strain. We perform electronic structure calculations to determine band gaps and other key electronic properties, which are crucial for applications in optoelectronics, energy storage, and hydrogen storage technologies. Additionally, we simulate optical properties, such as absorption spectra, refractive index, and reflectivity, to understand how materials interact with light. Phonon dispersion and Ab Initio Molecular Dynamics (AIMD) simulations help assess the thermal stability and mechanical properties of these materials, ensuring they maintain performance under real-world conditions. Through these comprehensive simulations, we aim to optimize material properties for a variety of technological applications, from energy harvesting to advanced storage systems.