Advanced dual-atom catalysts on graphitic carbon nitride for enhanced hydrogen evolution via water splitting

In this comprehensive investigation, we explore the effectiveness of 55 dual-atom catalysts (DACs) supported on graphitic carbon nitride (gCN) for both alkaline and acidic hydrogen evolution reactions (HER). Employing density functional theory (DFT), we scrutinize the thermodynamic and kinetic profi...

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Veröffentlicht in:	Nanoscale 2024-07, Vol.16 (27), p.13148-13160
Hauptverfasser:	Liu, Xinghui, Hoang, Dang Kim, Nguyen, Quynh Anh T, Dinh Phuc, Do, Kim, Seong-Gon, Nam, Pham Cam, Kumar, Ashwani, Zhang, Fuchun, Zhi, Chunyi, Bui, Viet Q
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon Carbon nitride Catalysts Catalytic activity Density functional theory Effectiveness Electrocatalysts Electronegativity Gibbs free energy Hydrogen evolution reactions Reaction kinetics Thermodynamics Water splitting
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