Published March 29, 2022
| Version v3
Journal article
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Supporting Information for Computational Screen of M2P Metal Phosphides for Catalytic Ethane Dehydrogenation
Description
Supporting information for Computational Screen of M2P Metal Phosphides for Catalytic Ethane Dehydrogenation.
This repository includes input files (INCAR, KPOINT) for VASP and DFT-computed CONTCAR files discussed in the manuscript.
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All_CONTCARs.zip
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