|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Applications of Process Engineering Principles in Materials Processing, Energy and Environmental Technologies: An EPD Symposium in Honor of Professor Ramana G. Reddy
||Conceptualization of Doped Black P Thin Films for Potential Use in Photovoltaics with Validation from First Principle Calculations
|| , Weizhi Zeng, Michael Free
|On-Site Speaker (Planned)
Black Phosphorus was recently discovered as a 2D material and it exemplified huge prospects for application in photonics. It is a direct band semiconductor with tunable band gap varying from 0.35 eV (bulk) to 2 eV (single layer). But the layer dependent band gap of black phosphorus restricts it to make use of the full spectra of sunlight for absorption. First principle calculations were performed using ‘QuantumWise Atomistix Toolkit’ package for black phosphorus doped with non-metallic dopants of B,S and Se and metallic dopants of Mg and In. It has been found that doping with non-metallic impurities result in a small diminution of the band gap, whereas doping with metallic impurities decrease the band gap drastically. Thus, black phosphorus with the incorporation of some dopants in appropriate amounts can absorb more visible range of the optical spectra, making it ideal for use in photovoltaics.
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