Investigating High-Performance Non-Precious Transition Metal Oxide Catalysts for Nitrogen Reduction Reaction: A Multifaceted DFT-kMC-LSTM Approach
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author list (cited authors)
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Lee, C. H., Pahari, S., Sitapure, N., Barteau, M. A., & Kwon, J.
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Lee, Chi Ho||Pahari, Silabrata||Sitapure, Niranjan||Barteau, Mark A||Kwon, Joseph Sang-Il
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Density Functional Theory
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H Transfer
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Kinetic Monte Carlo
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Long-short-term Memory
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Nrr
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http://dx.doi.org/10.1021/acscatal.3c01360
