| 초록 |
Platinum-shell based core-shell nanoparticles are widely recognized as potential substitute for the conventional oxygen reduction reaction (ORR) catalyst. However, the structural and catalytic stabilities of these materials under harsh conditions still hinder their commercialization. In this study, the potential applicability of a transition metal carbide (TMC) core-shell (Ti55Cx@Pt92) nanoclusters (CSNCs) with preferable structural stability and ORR activity is investigated using density functional theory calculations. The calculational results evidently suggest that the structural stability and catalytic activity of CSNCs can be tuned by incorporating titanium and titanium carbide as cores. Synthesis of inexpensive TiC cores and the stability of core-shell nanoclusters open promising design strategies using earth-abundant material to develop low-cost, ultradurable core-shell catalysts. |
