Functionalization of 2D materials for enhancing OER/ORR catalytic activity in Li–oxygen batteries
作者： Alireza Ostadhossein , Jack Guo , Filip Simeski , Matthias Ihme
DOI: 10.1038/S42004-019-0196-2
关键词:
摘要: A major barrier toward the practical application of lithium-oxygen batteries is the high overpotential caused by the precipitation of oxygen-reduction products at the cathode, resulting in poor cyclability. By combining first-principle calculations and reactive molecular dynamics simulations, we show that surface functionalization of 2D MXene nanosheets offers a high degree of tunability of the catalytic activity for oxygen-reduction and oxygen-evolution reactions (ORR/OER). We show that the controlled creation of active vacancy sites …
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