Accelerating the Discovery of g-C$_3$N$_4$-Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy

Two-dimensional materials supported by single atom catalysis (SACs) are foreseen to replace platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a series of metal (Al, Sc, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn) and non-metal (B, C, N, O, F, Si, P, S, Cl) single atoms emb...

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Hauptverfasser:	Jyothirmai, M. V, Roshini, D, Abraham, B. Moses, Singh, Jayant K
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Materials Science
Online-Zugang:	Volltext bestellen
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