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Controlling HER activity and stability of $γ$- and 6,6,12-Graphyne through engineered B-N doping: DFT and Reactive MD simulations

Fuente: arXiv
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Bibliographic Details
Main Authors: Quispe, Juan Gomez, Medina, Matheus, Mishra, Subhendu, Galvao, Douglas S, Singh, Abhishek, Autreto, Pedro Alves da Silva
Format: Preprint
Published: 2026
Subjects:
Materials Science
Other Condensed Matter
Applied Physics
Computational Physics
Online Access:
Acceder al recurso
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