Abstract Strain engineering is an effective strategy in modulating activity of electrocatalysts, but the effect of strain on electrochemical stability of catalysts remains poorly understood. In this work, we combineab initiothermodynamics and molecular dynamics simulations to examine the role of compressive and tensile strain in the interplay between activity and stability of metal oxides considering RuOand IrOas exemplary catalysts. We reveal that although compressive strain leads to improved activity via the adsorbate‐evolving mechanism of the oxygen evolution reaction, even small strains should substantially destabilize these catalysts promoting dissolution of transition metals. In contrast, our results show that the metal oxides requiring tensile strain to promote their catalytic activity may also benefit from enhanced stability. Importantly, we also find that the detrimental effect of strain on electrochemical stability of atomically flat surfaces could be even greater than that of surface defects.
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Facile synthesis of C 60 -nano materials and their application in high-performance water splitting electrocatalysis
Here, we report the synthesis and characterization of crystalline C 60 nanomaterials and their applications as bifunctional water splitting catalysts. The shapes of the resulting materials were tuned via a solvent engineering approach to form rhombic-shaped nanosheets and nanotubes with hexagonal close packed-crystal structures. The as-synthesized materials exhibited suitable properties as bifunctional catalysts for HER and ORR reactions surpassing by far the electrocatalytic activity of commercially available amorphous C 60 . The C 60 nanotubes displayed the most efficient catalytic performance with a small onset potential of −0.13 V vs. RHE and ultrahigh electrochemical stability properties towards the generation of molecular hydrogen. Additionally, the rotating-disk electrode measurements revealed that the oxygen reduction mechanism at the nanotube electrochemical surfaces followed an effective four-electron pathway. The improved catalytic activity was attributed to the enhanced local electric fields at the high curvature surfaces.
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- Award ID(s):
- 1801317
- PAR ID:
- 10172706
- Date Published:
- Journal Name:
- Sustainable Energy & Fuels
- Volume:
- 4
- Issue:
- 6
- ISSN:
- 2398-4902
- Page Range / eLocation ID:
- 2900 to 2906
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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