带隙
钙钛矿(结构)
材料科学
光电子学
光电效应
吸收(声学)
工作(物理)
能量转换效率
理论(学习稳定性)
光伏系统
化学
热力学
电气工程
计算机科学
复合材料
结晶学
物理
机器学习
工程类
作者
Xiuhong Cao,Z. P. Chang,Jing Chang
出处
期刊:Optics Letters
[Optica Publishing Group]
日期:2023-12-22
卷期号:49 (3): 534-534
被引量:9
摘要
Tuning the structure–property relations of perovskites by pressure engineering holds great promise for discovering materials with favorable properties. The newly synthesized Cs 2 PtBr 6 double perovskite exhibits excellent water resistance and chemical stability. Yet its photoelectric conversion efficiency is limited by its intrinsic wide-bandgap nature. In this work, based on density functional theory calculations, we demonstrate the bandgap narrowing of Cs 2 PtBr 6 via pressure engineering and maintain its structural stability. Strikingly, upon applying pressure up to 12 GPa, the bandgap value decreases to 1.34 eV, which exactly reaches the optimal bandgap required by the Shockley–Queisser efficiency limit. Moreover, optical calculation analysis shows that the optical absorption of Cs 2 PtBr 6 exhibits a significant improvement within the visible range. Therefore, the potential of Cs 2 PtBr 6 as a photovoltaic material by pressure engineering is improved. This work is useful for designing and synthesizing new perovskite materials with enhanced performance.
科研通智能强力驱动
Strongly Powered by AbleSci AI