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Janotti Lab uses computational methods to design and investigate novel materials for a range of applications, including electronics, optoelectronics, energy conversion, efficiency, and storage. Most of our work centers on electronic structure and first-principles methods based on Density Functional Theory. The goal is to advance our understanding of how materials behave at the microscopic level, and how this is translated into macroscopic properties that can be probed experimentally and optimized for the desired applications. Emphasis is given a combined effort of computer simulations and experiments in exploring novel materials and uncovering new physical phenomena. More specifically we are interested in defects and doping of oxide and nitride semiconductors, complex oxides and their heterostructures, half-heusler compounds, novel materials for photovoltaics, and two-dimensional (2D) layered materials.
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JOURNAL OF PHYSICS-CONDENSED MATTERno. 8 (2024): 085501-085501
arXiv (Cornell University) (2023)
APL MATERIALSno. 11 (2023): 111106-111106-9
Sreejith Nair,Zhifei Yang,Dooyong Lee,Silu Guo,Jerzy T. Sadowski, Spencer Johnson, Abdul Saboor,Yan Li,Hua Zhou,Ryan B. Comes,Wencan Jin,K. Andre Mkhoyan,
Nature Nanotechnologyno. 9 (2023): 1005-1011
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