28 February 2024 | Yu Du, Fakang Xie, Mengfei Lu, Rongxian Lv, Wangxi Liu, Yuandong Yan, Shicheng Yan & Zhigang Zou
This study explores the continuous strain tuning of oxygen evolution catalysts using anisotropic thermal expansion. The research focuses on the material Sr₂IrO₄, which exhibits anisotropic thermal expansion. By heating the material, compressive strains are generated in the IrO₆ octahedra, leading to a downshifting of the d-band center. This change in the d-band center optimizes the binding strength between oxygen evolution reaction (OER) intermediates and the Ir active sites, thereby accelerating OER kinetics. The study demonstrates that thermal strain can be continuously tuned by varying the temperature, resulting in a nonlinear Arrhenius relationship between the logarithm of the exchange current density (j₀) and the inverse temperature (T⁻¹). This is attributed to the thermally induced low-barrier electron transfer, which enhances OER performance beyond traditional thermal diffusion effects.
The research highlights the importance of electronic states in determining OER kinetics, with strain engineering being particularly effective in optimizing the d-band center of transition metal-based catalysts. Various methods have been proposed to create constant strains in crystals, including lattice mismatch, doping, morphology control, and defect introduction. However, these methods are limited by complex preparation processes and advanced equipment. In contrast, the thermal strain approach allows for real-time tuning of strains by varying the temperature, making it a promising method for optimizing OER performance.
The study also compares the OER performance of Sr₂IrO₄ with that of SrIrO₃ under different temperatures. While SrIrO₃ exhibits a linear Arrhenius relationship, Sr₂IrO₄ shows a nonlinear relationship due to the thermal strain-induced changes in the d-band center. The results indicate that thermal strain can significantly enhance OER performance by optimizing the electronic states of the catalyst, beyond the traditional thermal diffusion effects. The findings suggest that materials with positive catalytic contributions from thermal strains can be used to create efficient water splitting systems that simultaneously input heat and electricity.This study explores the continuous strain tuning of oxygen evolution catalysts using anisotropic thermal expansion. The research focuses on the material Sr₂IrO₄, which exhibits anisotropic thermal expansion. By heating the material, compressive strains are generated in the IrO₆ octahedra, leading to a downshifting of the d-band center. This change in the d-band center optimizes the binding strength between oxygen evolution reaction (OER) intermediates and the Ir active sites, thereby accelerating OER kinetics. The study demonstrates that thermal strain can be continuously tuned by varying the temperature, resulting in a nonlinear Arrhenius relationship between the logarithm of the exchange current density (j₀) and the inverse temperature (T⁻¹). This is attributed to the thermally induced low-barrier electron transfer, which enhances OER performance beyond traditional thermal diffusion effects.
The research highlights the importance of electronic states in determining OER kinetics, with strain engineering being particularly effective in optimizing the d-band center of transition metal-based catalysts. Various methods have been proposed to create constant strains in crystals, including lattice mismatch, doping, morphology control, and defect introduction. However, these methods are limited by complex preparation processes and advanced equipment. In contrast, the thermal strain approach allows for real-time tuning of strains by varying the temperature, making it a promising method for optimizing OER performance.
The study also compares the OER performance of Sr₂IrO₄ with that of SrIrO₃ under different temperatures. While SrIrO₃ exhibits a linear Arrhenius relationship, Sr₂IrO₄ shows a nonlinear relationship due to the thermal strain-induced changes in the d-band center. The results indicate that thermal strain can significantly enhance OER performance by optimizing the electronic states of the catalyst, beyond the traditional thermal diffusion effects. The findings suggest that materials with positive catalytic contributions from thermal strains can be used to create efficient water splitting systems that simultaneously input heat and electricity.