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用于太阳能电池的吸收材料——Janus过渡金属二硫属化物双层膜的工程设计

Engineering of Janus transition metal dichalcogenide bilayers as absorber materials for solar cells.

作者信息

Alfurhud Saber, Schwingenschlögl Udo

机构信息

Physics Department, College of Science, Jouf University, P.O. Box 2014, Sakaka, Saudi Arabia.

Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), 23955-6900, Thuwal, Saudi Arabia.

出版信息

Sci Rep. 2025 Apr 28;15(1):14863. doi: 10.1038/s41598-025-97350-3.

DOI:10.1038/s41598-025-97350-3
PMID:40295629
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12037910/
Abstract

Janus transition metal dichalcogenide bilayers are investigated as potential solar cell materials by first-principles calculations to identify candidates with direct band gap and type-II band alignment. The effects of the interface stacking and interface composition are explored. 11 out of the 20 examined bilayers show promising features and therefore are characterized in terms of the charge transfer, absorption spectrum, and power conversion efficiency.

摘要

通过第一性原理计算研究了Janus过渡金属二硫属化物双层作为潜在太阳能电池材料，以识别具有直接带隙和II型能带排列的候选材料。探讨了界面堆叠和界面组成的影响。在所研究的20种双层中，有11种显示出有前景的特性，因此对其进行了电荷转移、吸收光谱和功率转换效率方面的表征。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/37f0eb16e9ef/41598_2025_97350_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/3c1a3b0a765f/41598_2025_97350_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/e0f495230a70/41598_2025_97350_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/32618f0522f9/41598_2025_97350_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/4d3daafdbb8d/41598_2025_97350_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/1ea3a3194808/41598_2025_97350_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/6d872cb07940/41598_2025_97350_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/bb980053f1e9/41598_2025_97350_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/37f0eb16e9ef/41598_2025_97350_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/3c1a3b0a765f/41598_2025_97350_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/e0f495230a70/41598_2025_97350_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/32618f0522f9/41598_2025_97350_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/4d3daafdbb8d/41598_2025_97350_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/1ea3a3194808/41598_2025_97350_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/6d872cb07940/41598_2025_97350_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/bb980053f1e9/41598_2025_97350_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba49/12037910/37f0eb16e9ef/41598_2025_97350_Fig8_HTML.jpg

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本文引用的文献

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Stability of perovskite solar cells: issues and prospects.钙钛矿太阳能电池的稳定性：问题与前景
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Photovoltaic Cell Generations and Current Research Directions for Their Development.光伏电池的代际发展及其当前的研究方向
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Potential lead toxicity and leakage issues on lead halide perovskite photovoltaics.潜在的 lead 卤化物钙钛矿光伏 lead 毒性和泄漏问题。
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Excitonic Dynamics in Janus MoSSe and WSSe Monolayers.Janus MoSSe和WSSe单层中的激子动力学
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