| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Optical properties of La2O3 and HfO2 for radiative cooling via multiscale simulations |
| Lihao Wang(王礼浩)1, Wanglin Yang(杨旺霖)1, Zhongyang Wang(王忠阳)1,†, Hongchao Li(李鸿超)1, Hao Gong(公昊)1, Jingyi Pan(潘静怡)1, Tongxiang Fan(范同祥)1,‡, and Xiao Zhou(周啸)1,2,§ |
1 State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;
2 Institute of Medical Robotics, Shanghai Jiao Tong University, Shanghai 200240, China |
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Abstract Radiative cooling materials have gained prominence as a zero-energy solution for mitigating global warming. However, a comprehensive understanding of the atomic-scale optical properties and macroscopic optical performance of radiative cooling materials remains elusive, limiting insight into the underlying physics of their optical response and cooling efficacy. La$_{2}$O$_{3}$ and HfO$_{2}$, which represent rare earth and third/fourth subgroup inorganic oxides, respectively, show promise for radiative cooling applications. In this study, we used multiscale simulations to investigate the optical properties of La$_{2}$O$_{3}$ and HfO$_{2}$ across a broad spectrum. First-principles calculations revealed their dielectric functions and intrinsic refractive indices, and the results indicated that the slightly smaller bandgap of La$_{2}$O$_{3}$ compared to HfO$_{2}$ induces a higher refractive index in the solar band. Additionally, three-phonon scattering was found to provide more accurate infrared optical properties than two-phonon scattering, which enhanced the emissivity in the sky window. Monte Carlo simulations were also used to determine the macroscopic optical properties of La$_{2}$O$_{3}$ and HfO$_{2}$ coatings. Based on the simulated results, we identified that the particle size and particle volume fraction play a dominant role in the optical properties. Our findings underscore the potential of La$_{2}$O$_{3}$ and HfO$_{2}$ nanocomposites for environment-friendly cooling and offer a new approach for high-throughput screening of optical materials through multiscale simulations.
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Received: 04 June 2024
Revised: 28 August 2024
Accepted manuscript online: 09 October 2024
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PACS:
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78.20.-e
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(Optical properties of bulk materials and thin films)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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02.70.Uu
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(Applications of Monte Carlo methods)
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| Fund: The authors gratefully acknowledge the National Natural Science Foundation of China (Grant Nos. U23A20565, 52301194, and 52101178), the Shanghai Science and Technology Commission (Grant No. 22511100400), the startup funding from Shanghai Jiao Tong University (Grant No. WH220405009), and Innovation Program of Shanghai Municipal Education Commission (Grant No. 2023ZKZD15) for providing funding support for this research. |
Corresponding Authors:
Zhongyang Wang, Tongxiang Fan, Xiao Zhou
E-mail: zy_wang@sjtu.edu.cn;txfan@sjtu.edu.cn;zhouxiao113@sjtu.edu.cn
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Cite this article:
Lihao Wang(王礼浩), Wanglin Yang(杨旺霖), Zhongyang Wang(王忠阳), Hongchao Li(李鸿超), Hao Gong(公昊), Jingyi Pan(潘静怡), Tongxiang Fan(范同祥), and Xiao Zhou(周啸) Optical properties of La2O3 and HfO2 for radiative cooling via multiscale simulations 2024 Chin. Phys. B 33 127801
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