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

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Main Authors: Quispe, Juan Gomez, Medina, Matheus, Mishra, Subhendu, Galvao, Douglas S, Singh, Abhishek, Autreto, Pedro Alves da Silva
Format: Preprint
Published: 2026
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