A First-Principles Study on the ORR Catalytic Activity of Halogen-Doped Graphene Substrates
Published: 2 May 2025| Version 1 | DOI: 10.17632/22hfdspm2h.1
Contributor:
jinlong wangDescription
A First-Principles Study on the ORR Catalytic Activity of Halogen-Doped Graphene Substrates database with ase database format
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import ase.db db = ase.db.connect(name=fname) for name, atoms in data.items(): db.write(atoms=atoms, name=name,)
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Database, Data Access