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. 2024 Aug 26;29(17):4030.
doi: 10.3390/molecules29174030.

Suppressed Ion Migration by Heterojunction Layer for Stable Wide-Bandgap Perovskite and Tandem Photovoltaics

Taoran Wang  1 , Weiwei Zhang  2 , Wenjuan Yang  1 , Zeyi Yu  3 , Gu Xu  1   4 , Fan Xu  5   6
Affiliations

Suppressed Ion Migration by Heterojunction Layer for Stable Wide-Bandgap Perovskite and Tandem Photovoltaics

Taoran Wang et al. Molecules. .

Abstract

Wide-bandgap (WBG) perovskite has demonstrated great potential in perovskite-based tandem solar cells. The power conversion efficiency (PCE) of such devices has surpassed 34%, signifying a new era for renewable energy development. However, the ion migration reduces the stability and hinders the commercialization, which is yet to be resolved despite many attempts. A big step forward has now been achieved by the simulation method. The detailed thermodynamics and kinetics of the migration process have been revealed for the first time. The stability has been enhanced by more than 100% via the heterojunction layer on top of the WBG perovskite film, which provided extra bonding for kinetic protection. Hopefully, these discoveries will open a new gate for WBG perovskite research and accelerate the application of perovskite-based tandem solar cells.

Keywords: heterojunction; ion migration; simulation; tandem solar cell; wide-bandgap perovskite.

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Conflict of interest statement

Author Zeyi Yu was employed by the company China National Offshore Oil Corporation Huizhou Petrochemical Co., Ltd. The remaining authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

Figures

Figure 1
Figure 1
(a) The simulation results of ion migration at room temperature in perovskite film of 10% doping in the X site after iteration 1, 50, 100, 250, 500, and 1000. Blue = P: 0; green = P: 0–0.3; red = P: 0.3–0.6; and yellow = P: 1.0; the iteration number represents the migration time. (b) The simulation results of ion migration at room temperature in perovskite film of 23% doping in the X site after iteration 1, 50, 100, 250, 500, and 1000. (c) The scatterplot of the number of the remaining lattices after iteration 1, 50, 100, 250, 500, and 1000 for both doping proportions.
Figure 2
Figure 2
(a) The simulation results of ion migration at room temperature when the heterojunction layer is applied on top of the perovskite film of 10% doping in the X site after iteration 1, 50, 100, 250, 500, and 1000. Blue = P: 0; green = P: 0–0.3; red = P: 0.3–0.6; and yellow = P: 1.0; the iteration number represents the migration time. (b) The simulation results of ion migration at room temperature when the heterojunction layer is applied on top of the perovskite film of 23% doping in the X site after iteration 1, 50, 100, 250, 500, and 1000. (c) The scatterplot of the number of the remaining lattices after iteration 1, 50, 100, 250, 500, and 1000 for both doping proportions.
Figure 3
Figure 3
(a) The scatterplot of the remaining lattices in the perovskite film of 23% doping in the X site with and without the heterojunction layer. (b) The scatterplot of the remaining lattice in the perovskite film of 10% doping in the X site with and without the heterojunction layer.
Figure 4
Figure 4
(a) The simulation results of ion migration at higher temperatures in the perovskite film of 23% doping in the X site after iterations 1, 50, 100, 250, 500, and 1000. Blue = P: 0; green = P: 0–0.3; red = P: 0.3–0.6; and yellow = P: 1.0; iteration number represents the migration time. The degradation is accelerated without the protection of the heterojunction layer. (b) The simulation results of ion migration at room temperature when the heterojunction layer is applied on top of the perovskite film of 23% doping in the X site after iterations 1, 50, 100, 250, 500, and 1000. (c) The simulation results of ion migration at higher temperature in the perovskite film of 10% doping in the X site after iterations 1, 50, 100, 250, 500, and 1000. Remaining perovskite lattices = 9387, 9031, 8774, 8308, 7790, and 4183. (d) The simulation results of ion migration at room temperature when the heterojunction layer is applied on top of the perovskite film of 10% doping in the X site after iterations 1, 50, 100, 250, 500, and 1000. Remaining perovskite lattices = 9453, 9128, 8878, 8495, 8196, and 5056.
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