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Physical Simulation Model of WO3 Electrochromic Films Based on Continuous Electron-Transfer Kinetics and Experimental Verification
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-01-14 , DOI: 10.1021/acsami.0c19993 Guanguang Zhang 1 , Kaiyue Guo 1 , Xingxing Shen 1 , Honglong Ning 1 , Hongfu Liang 1 , Jinyao Zhong 1 , Wei Xu 1 , Biao Tang 2 , Rihui Yao 1 , Junbiao Peng 1
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-01-14 , DOI: 10.1021/acsami.0c19993 Guanguang Zhang 1 , Kaiyue Guo 1 , Xingxing Shen 1 , Honglong Ning 1 , Hongfu Liang 1 , Jinyao Zhong 1 , Wei Xu 1 , Biao Tang 2 , Rihui Yao 1 , Junbiao Peng 1
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Tungsten oxide (WO3) electrochromic devices have attracted a lot of interest in the energy conservation field and have shown a preliminary application potential in the market. However, it is difficult to quantitatively direct experiments with the existing electrochromic theoretical models, which can restrict the further development of electrochromism. Here, an electrochromic physical simulation model of WO3 films was built to solve the above problem. Experimentally, the actual electrochromic kinetics of WO3 in the LiClO4/propylene carbonate electrolyte was determined as a continuous electron-transfer process by cyclic voltammetry measurement and X-ray photoelectron spectroscopy analysis. Theoretically, the continuous electron-transfer process, Li+-ion diffusion process, and the transmittance change process were described by a modified Butler–Volmer equation, Fick’s law, and charge versus coloration efficiency/bleaching efficiency coupling equation, respectively. The comparisons between theoretical and experimental data were conducted to verify this model. The shape of the simulated current curves was basically consistent with that of experiments. Besides, the difference of transmittance between the simulation and experiments was less than 8%. The difference between theory and experiment was attributed to the influence of the electric double layer and the actual reaction interface. The success of the simulation was attributed to the accurate description of the electrochromic process by continuous electron-transfer kinetics. This model can be applied in the research of electrochromic mechanisms, experimental result prediction, and novel device development due to its clear physical nature.
中文翻译：
基于连续电子转移动力学的WO 3电致变色薄膜物理模拟模型及实验验证
氧化钨（WO 3）电致变色器件在节能领域引起了广泛兴趣，并在市场上显示出初步的应用潜力。但是，很难用现有的电致变色理论模型定量指导实验，这会限制电致变色的进一步发展。在此，建立了WO 3膜的电致变色物理模拟模型以解决上述问题。实验上，LiClO 4中WO 3的实际电致变色动力学通过循环伏安法测量和X射线光电子能谱分析确定碳酸亚丙酯为连续的电子转移过程。从理论上讲，连续电子转移过程Li +离子扩散过程和透射率变化过程分别由修正的Butler-Volmer方程，菲克定律以及电荷与着色效率/漂白效率耦合方程来描述。理论和实验数据之间进行比较以验证该模型。模拟电流曲线的形状与实验基本一致。此外，模拟和实验之间的透射率差异小于8％。理论与实验之间的差异归因于双电层和实际反应界面的影响。模拟的成功归因于通过连续电子转移动力学对电致变色过程的准确描述。
更新日期：2021-01-27
中文翻译：
基于连续电子转移动力学的WO 3电致变色薄膜物理模拟模型及实验验证
氧化钨（WO 3）电致变色器件在节能领域引起了广泛兴趣，并在市场上显示出初步的应用潜力。但是，很难用现有的电致变色理论模型定量指导实验，这会限制电致变色的进一步发展。在此，建立了WO 3膜的电致变色物理模拟模型以解决上述问题。实验上，LiClO 4中WO 3的实际电致变色动力学通过循环伏安法测量和X射线光电子能谱分析确定碳酸亚丙酯为连续的电子转移过程。从理论上讲，连续电子转移过程Li +离子扩散过程和透射率变化过程分别由修正的Butler-Volmer方程，菲克定律以及电荷与着色效率/漂白效率耦合方程来描述。理论和实验数据之间进行比较以验证该模型。模拟电流曲线的形状与实验基本一致。此外，模拟和实验之间的透射率差异小于8％。理论与实验之间的差异归因于双电层和实际反应界面的影响。模拟的成功归因于通过连续电子转移动力学对电致变色过程的准确描述。
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