Md. Selim Reza, Avijit Ghosh*, Nidhal Drissi, Agnita Sikder Mugdho, Md. Shamim Reza and Mst. Mohona Akter,
{"title":"电子和空穴传输层对提高Ca3PI3太阳能电池效率的深入分析","authors":"Md. Selim Reza, Avijit Ghosh*, Nidhal Drissi, Agnita Sikder Mugdho, Md. Shamim Reza and Mst. Mohona Akter, ","doi":"10.1021/acs.langmuir.4c0466010.1021/acs.langmuir.4c04660","DOIUrl":null,"url":null,"abstract":"<p >This study investigates lead-free calcium–phosphorus iodide (Ca<sub>3</sub>PI<sub>3</sub>) perovskite solar cells with various electron transport layers (ETLs) like TiO<sub>2</sub> and SnS<sub>2</sub> and hole transport layers (HTLs) such as CuO, MoO<sub>3</sub>, P<sub>3</sub>HT, Sb<sub>2</sub>S<sub>3</sub>, CuSbS<sub>2</sub>, and GeSe. The ideal HTL, MoO<sub>3</sub>, was chosen, and its performance was simulated by using the SCAPS-1D tool. Two device structures were analyzed: device-I (Al/FTO/TiO<sub>2</sub>/Ca<sub>3</sub>PI<sub>3</sub>/MoO<sub>3</sub>/Ni) and device-II (Al/FTO/SnS<sub>2</sub>/Ca<sub>3</sub>PI<sub>3</sub>/MoO<sub>3</sub>/Ni). Various parameters were carefully optimized to achieve the best device performance, including donor and acceptor densities, defect density, thickness, series and shunt resistances, generation-recombination dynamics, current density (IV), quantum efficiency (QE%), and temperature. The top-performing device-I achieved a power conversion efficiency (PCE) of 29.02%, with a <i>V</i><sub>OC</sub> of 1.288 V, a <i>J</i><sub>SC</sub> of 25.235 mA/cm<sup>2</sup>, and a fill factor (FF) of 89.26%. Device II showed a PCE of 26.47%, with a <i>V</i><sub>OC</sub> of 1.2486 V, <i>J</i><sub>SC</sub> of 25.233 mA/cm<sup>2</sup>, and FF of 84.01%. These results emphasize the promise of device-I for high-performance Ca<sub>3</sub>PI<sub>3</sub>-based photovoltaic applications.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 10","pages":"6657–6674 6657–6674"},"PeriodicalIF":3.9000,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"In-Depth Analysis of Electron and Hole Transport Layers for Enhancing Ca3PI3 Solar Cell Efficiency through Advanced Numerical Simulation\",\"authors\":\"Md. Selim Reza, Avijit Ghosh*, Nidhal Drissi, Agnita Sikder Mugdho, Md. Shamim Reza and Mst. Mohona Akter, \",\"doi\":\"10.1021/acs.langmuir.4c0466010.1021/acs.langmuir.4c04660\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >This study investigates lead-free calcium–phosphorus iodide (Ca<sub>3</sub>PI<sub>3</sub>) perovskite solar cells with various electron transport layers (ETLs) like TiO<sub>2</sub> and SnS<sub>2</sub> and hole transport layers (HTLs) such as CuO, MoO<sub>3</sub>, P<sub>3</sub>HT, Sb<sub>2</sub>S<sub>3</sub>, CuSbS<sub>2</sub>, and GeSe. The ideal HTL, MoO<sub>3</sub>, was chosen, and its performance was simulated by using the SCAPS-1D tool. Two device structures were analyzed: device-I (Al/FTO/TiO<sub>2</sub>/Ca<sub>3</sub>PI<sub>3</sub>/MoO<sub>3</sub>/Ni) and device-II (Al/FTO/SnS<sub>2</sub>/Ca<sub>3</sub>PI<sub>3</sub>/MoO<sub>3</sub>/Ni). Various parameters were carefully optimized to achieve the best device performance, including donor and acceptor densities, defect density, thickness, series and shunt resistances, generation-recombination dynamics, current density (IV), quantum efficiency (QE%), and temperature. The top-performing device-I achieved a power conversion efficiency (PCE) of 29.02%, with a <i>V</i><sub>OC</sub> of 1.288 V, a <i>J</i><sub>SC</sub> of 25.235 mA/cm<sup>2</sup>, and a fill factor (FF) of 89.26%. Device II showed a PCE of 26.47%, with a <i>V</i><sub>OC</sub> of 1.2486 V, <i>J</i><sub>SC</sub> of 25.233 mA/cm<sup>2</sup>, and FF of 84.01%. These results emphasize the promise of device-I for high-performance Ca<sub>3</sub>PI<sub>3</sub>-based photovoltaic applications.</p>\",\"PeriodicalId\":50,\"journal\":{\"name\":\"Langmuir\",\"volume\":\"41 10\",\"pages\":\"6657–6674 6657–6674\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-02-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Langmuir\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.langmuir.4c04660\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Langmuir","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.langmuir.4c04660","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
In-Depth Analysis of Electron and Hole Transport Layers for Enhancing Ca3PI3 Solar Cell Efficiency through Advanced Numerical Simulation
This study investigates lead-free calcium–phosphorus iodide (Ca3PI3) perovskite solar cells with various electron transport layers (ETLs) like TiO2 and SnS2 and hole transport layers (HTLs) such as CuO, MoO3, P3HT, Sb2S3, CuSbS2, and GeSe. The ideal HTL, MoO3, was chosen, and its performance was simulated by using the SCAPS-1D tool. Two device structures were analyzed: device-I (Al/FTO/TiO2/Ca3PI3/MoO3/Ni) and device-II (Al/FTO/SnS2/Ca3PI3/MoO3/Ni). Various parameters were carefully optimized to achieve the best device performance, including donor and acceptor densities, defect density, thickness, series and shunt resistances, generation-recombination dynamics, current density (IV), quantum efficiency (QE%), and temperature. The top-performing device-I achieved a power conversion efficiency (PCE) of 29.02%, with a VOC of 1.288 V, a JSC of 25.235 mA/cm2, and a fill factor (FF) of 89.26%. Device II showed a PCE of 26.47%, with a VOC of 1.2486 V, JSC of 25.233 mA/cm2, and FF of 84.01%. These results emphasize the promise of device-I for high-performance Ca3PI3-based photovoltaic applications.
期刊介绍：
Langmuir is an interdisciplinary journal publishing articles in the following subject categories:
Colloids: surfactants and self-assembly, dispersions, emulsions, foams
Interfaces: adsorption, reactions, films, forces
Biological Interfaces: biocolloids, biomolecular and biomimetic materials
Materials: nano- and mesostructured materials, polymers, gels, liquid crystals
Electrochemistry: interfacial charge transfer, charge transport, electrocatalysis, electrokinetic phenomena, bioelectrochemistry
Devices and Applications: sensors, fluidics, patterning, catalysis, photonic crystals
However, when high-impact, original work is submitted that does not fit within the above categories, decisions to accept or decline such papers will be based on one criteria: What Would Irving Do?
Langmuir ranks #2 in citations out of 136 journals in the category of Physical Chemistry with 113,157 total citations. The journal received an Impact Factor of 4.384*.
This journal is also indexed in the categories of Materials Science (ranked #1) and Multidisciplinary Chemistry (ranked #5).
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