In a general sense, charge modulation refers to manipulating or altering the charge distribution within a material or system. It involves modifying the distribution of electrons or ions, leading to changes in the localized charges in specific regions or the overall charge density. From this perspective, many various strategies widely used in material science and physics, including electron/hole injection, defect engineering, incorporation such as doping and adsorption, and ion intercalation, can be classified as forms of charge modulation. In this project, as a simulation-based work employing established software packages relying on integrated ab initio and numerical methodologies, we aim to apply different charge modulation techniques to novel materials to explore their properties and evaluate their potential for specific applications. We also strive to bridge the gap between DFT and non-DFT calculations, seeking an effective pathway for optimizing the available charge modulation techniques. The second-year review seminar will provide a concise overview of the stated objectives, outlines the achievements, and details the research plans for the remaining program duration.

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Meeting ID: 899 6794 5061
Password: 1120 2023