Advanced Computations with Experimental Validation to Accurately Describe Interface-Related Phenomena in Semiconductor Technologies

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This award is made as part of the FY 2021 Mathematical and Physical Sciences Ascending Postdoctoral Research Fellowships (MPS-Ascend). Each fellowship supports a research and training project at a host institution in the mathematical and physical sciences, including applications to other disciplines, under the mentorship of a sponsoring scientist. This fellowship to Dr. Anthony Nicholson supports his research project entitled "Advanced Computations with Experimental Validation to Accurately Describe Interface-Related Phenomena in Semiconductor Technologies". The host institution for the fellowship is the National Renewable Energy Laboratory (NREL), and the sponsoring scientist is Dr. Stephan Lany. Dr. Nicholson is utilizing first-principles computational methodology and Density Functional Theory (DFT) to investigate atomic-scale structural and electronic properties of thin-film photovoltaic (PV) device interfaces affected by various electronic defects. Dr. Nicholson’s research work is relevant to the improvement of efficiency of thin-film cadmium-telluride photovoltaic modules, a PV technology that accounts for nearly 40% of all utility-scale PV installations in the US. The proposed fellowship at NREL consists of integrating state-of-the-art, high-fidelity first-principles-based computations with experimental validation to accurately describe electronic structures at semiconductor interfaces, while contributing to inclusion efforts of underrepresented minorities at NREL and Colorado State University (CSU).This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.