Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs)

The development of two-dimensional (2D) materials with high conductivity and catalytic activity is important for the proposed hydrogen economy. Herein, we design a new family of 2D monolayers, pentagonal transition-metal borides/carbides (penta-TMBs and penta-TMCs), as electrocatalysts for the hydro...

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Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2018, Vol.6 (22), p.10226-10232
Hauptverfasser:	Shao, Yangfan, Shao, Mengmeng, Kawazoe, Yoshiyuki, Shi, Xingqiang, Pan, Hui
Format:	Artikel
Sprache:	eng
Schlagworte:	Borides Catalysis Catalysts Catalytic activity Density functional theory Electrocatalysts Ferromagnetism Free energy Gibbs free energy Hafnium carbide Hydrofluorocarbons Hydrogen Hydrogen atoms Hydrogen evolution reactions Hydrogen-based energy Metals Monolayers Noble metals Zirconium carbide
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