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Published March 29, 2022 | Version v2
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Supporting Information for Computational Screen of M2P Metal Phosphides for Catalytic Ethane Dehydrogenation

Creators

  • 1. University of Notre Dame

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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