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Improving the Discharge Rate of Co3O4-Based Thermochemical Energy Storage Material with Eutectic Doping of Zr
Energy & Fuels ( IF 5.2 ) Pub Date : 2023-09-29 , DOI: 10.1021/acs.energyfuels.3c02505
Zijian Zhou 1 , Lei Liu 1 , Qi Guo 1 , Xinbo Zhu 2 , Xiaowei Liu 1 , Minghou Xu 1
Energy & Fuels ( IF 5.2 ) Pub Date : 2023-09-29 , DOI: 10.1021/acs.energyfuels.3c02505
Zijian Zhou 1 , Lei Liu 1 , Qi Guo 1 , Xinbo Zhu 2 , Xiaowei Liu 1 , Minghou Xu 1
Affiliation
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Co-based oxides are promising thermochemical energy storage (TCES) media as they exhibit long-term cycle stability, which offers a solution for addressing the problems associated with the intermittent nature of zero-carbon renewable energy sources. It is crucial to improve the charging rate of Co-based oxides to facilitate a rapid load increase in power plants. This study evaluates the impact of Zr doping on the charging rate of Co-based oxides and examines the mechanism associated with the enhancement effects. Zr-doped Co-based oxides with a cubic microstructure were synthesized. A low Zr content through eutectic doping resulted in the generation of a single-phase structure, which inhibited Co3O4 nucleation and growth and was enriched in Co3+ and oxygen on the surface. A stable TCES conversion efficiency was maintained during the process for over 20 charging and discharging cycles. The mechanism behind this enhancement was also investigated by using density functional theory calculations. The results indicated that eutectic doping with Zr facilitated the electron transfer and distribution. The process was primarily centered on the Zr atom. Consequently, this promoted the adsorption of Co atoms and O2. A significant reduction in the dissociation energy barrier of O2 during the crystal reconstruction process was observed. The results reported herein help us to understand the potential industrial application of Co-based oxide media in TCES systems.
中文翻译：
Zr共晶掺杂提高Co3O4基热化学储能材料的放电率
钴基氧化物是有前途的热化学储能（TCES）介质，因为它们具有长期循环稳定性，这为解决与零碳可再生能源的间歇性相关的问题提供了解决方案。提高钴基氧化物的充电速率对于促进电厂快速负荷增长至关重要。本研究评估了 Zr 掺杂对钴基氧化物充电速率的影响，并研究了与增强效果相关的机制。合成了具有立方微观结构的Zr掺杂钴基氧化物。通过共晶掺杂降低Zr含量导致产生单相结构，抑制Co 3 O 4成核和生长，并在表面富集Co 3+和氧。在20多个充放电循环过程中，TCES转换效率保持稳定。还通过密度泛函理论计算研究了这种增强背后的机制。结果表明，Zr共晶掺杂有利于电子的传输和分布。该过程主要集中在Zr原子上。结果，这促进了Co原子和O 2的吸附。在晶体重构过程中观察到O 2解离能垒显着降低。本文报告的结果有助于我们了解钴基氧化物介质在 TCES 系统中的潜在工业应用。
更新日期：2023-09-29
中文翻译：
Zr共晶掺杂提高Co3O4基热化学储能材料的放电率
钴基氧化物是有前途的热化学储能（TCES）介质，因为它们具有长期循环稳定性，这为解决与零碳可再生能源的间歇性相关的问题提供了解决方案。提高钴基氧化物的充电速率对于促进电厂快速负荷增长至关重要。本研究评估了 Zr 掺杂对钴基氧化物充电速率的影响，并研究了与增强效果相关的机制。合成了具有立方微观结构的Zr掺杂钴基氧化物。通过共晶掺杂降低Zr含量导致产生单相结构，抑制Co 3 O 4成核和生长，并在表面富集Co 3+和氧。在20多个充放电循环过程中，TCES转换效率保持稳定。还通过密度泛函理论计算研究了这种增强背后的机制。结果表明，Zr共晶掺杂有利于电子的传输和分布。该过程主要集中在Zr原子上。结果，这促进了Co原子和O 2的吸附。在晶体重构过程中观察到O 2解离能垒显着降低。本文报告的结果有助于我们了解钴基氧化物介质在 TCES 系统中的潜在工业应用。
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