Designing Organic Electron Transport Materials for Stable and Efficient Performance of Perovskite Solar Cells: A Theoretical Study

Kumar, Aditya; Ojha, Saurav K.; Vyas, Nidhi

doi:10.1021/acsomega.1c00062

Cited by 14 publications

(15 citation statements)

References 54 publications

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“…The perovskite material, ABX 3 , is sandwiched between electron transport layers (ETLs) and hole transport layers (HTLs), which are light absorbers. ETLs and HTLs have a pivotal role in charge transportation, separation, and recombination [43]. Examples of HTLs are shown in Figure 1b,c.…”

Section: Methodsmentioning

confidence: 99%

Hybrid Organic–Inorganic Perovskite Halide Materials for Photovoltaics towards Their Commercialization

et al. 2022

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Hybrid organic–inorganic perovskite (HOIP) photovoltaics have emerged as a promising new technology for the next generation of photovoltaics since their first development 10 years ago, and show a high-power conversion efficiency (PCE) of about 29.3%. The power-conversion efficiency of these perovskite photovoltaics depends on the base materials used in their development, and methylammonium lead iodide is generally used as the main component. Perovskite materials have been further explored to increase their efficiency, as they are cheaper and easier to fabricate than silicon photovoltaics, which will lead to better commercialization. Even with these advantages, perovskite photovoltaics have a few drawbacks, such as their stability when in contact with heat and humidity, which pales in comparison to the 25-year stability of silicon, even with improvements are made when exploring new materials. To expand the benefits and address the drawbacks of perovskite photovoltaics, perovskite–silicon tandem photovoltaics have been suggested as a solution in the commercialization of perovskite photovoltaics. This tandem photovoltaic results in an increased PCE value by presenting a better total absorption wavelength for both perovskite and silicon photovoltaics. In this work, we summarized the advances in HOIP photovoltaics in the contact of new material developments, enhanced device fabrication, and innovative approaches to the commercialization of large-scale devices.

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Section: Methodsmentioning

confidence: 99%

Hybrid Organic–Inorganic Perovskite Halide Materials for Photovoltaics towards Their Commercialization

et al. 2022

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“…62 Better solubility is indicated by a high negative value of solvation free energy. 13 Table 4 shows the solubility and chemical hardness(η) of CuPc and X 16 CuPc. F 16 CuPc shows the highest negative value of solubility indicating that it is the most soluble out of all the structures.…”

Section: Solubility and Stabilitymentioning

confidence: 99%

“…[29][30][31] Kumar et al investigated the properties of nickel phthalocyanine (NiPc) and halogen-substituted nickel phthalocyanine (X 16 NiPc, X = I, Br, Cl, F) through DFT and concluded that NiPc and Br 16 NiPc can be used as HTL and ETL, respectively, for a MAPbI 3 -based PSCs. 13 In the present work, we will be studying the properties of CuPc and halogen-substituted copper phthalocyanine (X 16 CuPc, X = I, Br, Cl, F) through DFT and determine their ground state properties, excited state properties and solubility in DMSO. We will establish the usage of copper phthalocyanine as HTLs and fluorinated copper phthalocyanine as ETLs in PSCs.…”

Section: Introductionmentioning

confidence: 99%

“…But ZnO 2 also has some drawbacks such as low efficiency, poor chemical stability and the tendency to degrade under ambient environment. 13 Another alternative to TiO 2 and ZnO 2 as an electron transport material (ETM) was SnO 2 . 14 SnO 2 is less hygroscopic and has higher charge mobility compared with TiO 2 and ZnO 2 , but they show poor efficiency.…”

Section: Introductionmentioning

confidence: 99%

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Fluorinated copper phthalocyanine as an electron transport material in perovskite solar cell

Pindolia

Pandya

Shinde

et al. 2022

Intl J of Energy Research

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Summary The state‐of‐art charge transport materials, TiO2 and Spiro‐OMeTAD suffer from various drawbacks such as instability, lengthy fabrication procedure and low charge mobilities. In this paper, we have studied copper phthalocyanine (CuPc) and halogen‐substituted copper phthalocyanine (X16CuPc; X = F, Cl, Br, I) through density functional theory (DFT) and determined their ground state properties, excited state properties and solubility in DMSO (widely used solvent in the fabrication of perovskite solar cell [PSC]). We have shown that fluorinated copper phthalocyanine(F16CuPc) acts as an electron transport layer (ETL) and CuPc acts as a hole transport layer (HTL) in MAPbI3‐based PSC. The moisture stability of CuPc and F16CuPc has been established and it has been shown that CuPc and F16CuPc will protect the perovskite layer from degradation due to the presence of moisture in the surroundings. Using the properties obtained via DFT, PSC has been simulated using SCAPS, and it is established that CuPc as hole transport material and F16CuPc as electron transport material gives better efficiency compared with the state of art charge transport materials (TiO2 and Spiro‐OMeTAD). The device has been optimized with respect to (w.r.t.) thickness, doping concentration, defect density and interface defect density. We have studied the effect of series resistance, shunt resistance and temperature on the performance of PSC and this configuration has shown good thermal stability. Carbon has been proposed as an alternative to gold as the back contact thereby making our device more economical. The optimized device showed quantum efficiency of (81.59% to 98.69%) in the visible region. A fill factor of 79.01%, power conversion efficiency of 22.30% has been obtained.

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“…Many studies have demonstrated that the PCE of PSCs is generally dependent on thickness of the perovskite absorber [12][13][14][15]. Thickness of electron transport layers are also crucial for better efficiencies [13][14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Recent Advances in Modeling of Perovskite Solar Cells Using SCAPS-1D: Effect of Absorber and ETM Thickness

Danladi

Dogo

Michael

et al. 2021

EEJP

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With the massive breakthrough recorded in the power conversion efficiency (PCE) of perovskite solar cells (PSCs) from 3.8 % to > 25 %, PSCs have attracted considerable attention in both the academia and industries. However, some challenges remain as barrier in realizing its deployment. To develop a highly efficient PSCs as well as environmentally benign device, simulation and optimization of such devices is desirable. Its impractical as well as wastage of time and money to design a solar cell without simulation works. It minimizes not only the risk, time and money rather analyzes layers’ properties and role to optimize the solar cell to best performance. Numerical modeling to describe PV thin layer devices is a convenient tool to better understand the basic factors limiting the electrical parameters of the solar cells and to increase their performance. In this review article, we focused on the recent advances in modelling and optimization of PSCs using SCAPS-1D with emphasis on absorber and electron transport medium (ETM) thickness.

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Designing Organic Electron Transport Materials for Stable and Efficient Performance of Perovskite Solar Cells: A Theoretical Study

Cited by 14 publications

References 54 publications

Hybrid Organic–Inorganic Perovskite Halide Materials for Photovoltaics towards Their Commercialization

Hybrid Organic–Inorganic Perovskite Halide Materials for Photovoltaics towards Their Commercialization

Fluorinated copper phthalocyanine as an electron transport material in perovskite solar cell

Recent Advances in Modeling of Perovskite Solar Cells Using SCAPS-1D: Effect of Absorber and ETM Thickness

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