Computational analysis of chalcogenides as an inorganic hole transport layer in perovskite solar cells

Kumar, Atul; Ranjan, Pranay

doi:10.1007/s11082-021-03186-2

Cited by 17 publications

(9 citation statements)

References 34 publications

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“…We utilized a solar cell capacitance simulator (SCAPS 1D), a Poisson solver, to solve these photovoltaic equations under diverse electrostatic potential, recombination, and tunneling conditions for our desired material system and device configuration. [21][22][23][24][25] The device configuration of spiroOMeTAD/CsSn 0.5 Ge 0.5 I 3 /TiO 2 /FTO is simulated by taking the material parameters from the literature and is comprehensively summarized in Table 1. Our device and results can be reproduced using the parameters from Table 1.…”

Section: Simulation Detailsmentioning

confidence: 99%

CsSn_0.5Ge_0.5I₃‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

Sujith,

Prabu,

et al. 2023

Physica Status Solidi (a)

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CsSn0.5Ge0.5I3 perovskite is reportedly highly stable in ambient open‐air, lead‐free, and has excellent optoelectrical properties. We simulated an inverted p‐i‐n solar cell device based on this mixed SnGe perovskite utilizing the reported optical and electrical characteristics of the CsSn0.5Ge0.5I3. We put this theoretical device under various recombination regimes to explore the performance ceiling of the CsSn0.5Ge0.5I3. An optimized configuration of CsSn0.5Ge0.5I3‐based perovskite solar cell showed an efficiency of 29% under the impact of only intrinsic recombination losses such as radiative (with radiative recombination coefficient of 10‐11) and Auger recombination (recombination coefficient of 10‐27). When extrinsic factors are considered, such as resistance losses (series resistance as high as 2 Ωcm2 and shunt resistance as low as 1000 Ωcm2), efficiency decreases to 27.5%. The efficiency is 20% when trap‐assisted Schockey Read Hall SRH recombination are considered with voltage loss (VLoss) of 0.5V. Similarly, VLoss = 0.6V in VOC restricts device efficiency to 15%. Finally, an efficiency waterfall chart summarized the CsSn0.5Ge0.5I3, efficiency under different extrinsic losses, and the performance loss analysis, providing an optimal design. The results summarized here are expected to be helpful and prompt experimentalists to fabricate this stable lead‐free perovskite solar cell.This article is protected by copyright. All rights reserved.

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Section: Simulation Detailsmentioning

confidence: 99%

CsSn_0.5Ge_0.5I₃‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

Sujith,

Prabu,

et al. 2023

Physica Status Solidi (a)

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“…Analogous to the case of CBO, in negativeVBO conditions, a cliff structure is formed. [ 40 ] The activation energy ( E a ) for charge carrier recombination becomes lesser than E gabs . E a is governed by the following expression

\textrm{ } E_{\text{a}} = E_{\text{gabs}} - \cdot \text{VBO} \cdot

…”

Section: Resultsmentioning

confidence: 99%

Revealing the Role of Band Offsets on the Charge Carrier Dynamics of CsSn_0.5Ge_0.5I₃‐Based Perovskite Solar Cell: A Theoretical Study

et al. 2023

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A computational method using a unidimensional device simulator to theoretically study the CsSn0.5Ge0.5I3‐based perovskite solar cell (PSC) is adopted. The results provide a detailed understanding of energy level tuning between the transport and absorber layer in order to attain high‐performance parameters. The influence of band offset (BO) on the charge carrier dynamics of the PSCs is explained in terms of cliff and spike structures for various levels of conduction band offsets (CBOs) and valence band offsets (VBOs). The ideality factor (IF) is calculated with variable BOs, and its variation with the applied voltage is examined. IF value ranges from 1.95 to 1.55 and 1.57 to 1.51 for different levels of VBO and CBO, respectively. The study on absorber layer thickness is conducted at different levels of BOs, revealing the importance of optimized absorber thickness on the performance of the PSCs. The capacitance–voltage measurements under illumination and in the dark signify the importance of optimized BO on the built‐in potential and maximum capacitances of the PSC. The Nyquist plot of the PSC at different levels of BO reveals that the highest recombination resistance is obtained at the optimum BO levels, rendering device to attain superior performance.

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“…across heterojunctions’ optoelectrical solar cell device using appropriate conditions, defect models, script files, recorder setup, etc. [ 49–58 ] It is a Poisson–Schrodinger solver in one dimension which iteratively solves coupled electrostatic Poisson's and continuity equations, drift‐diffusion equation and generation–recombination profiles, using the Gummel iteration method with Newton–Ralphson substeps alongside the length of the device, at the junction under various illumination and biasing conditions. Applying relevant boundary conditions at the interfaces and different contacts, SCAPS solves the coupled differential equations in (Ψ, n , p ) or (Ψ, E Fn , E Fp ).

J_{normaln} = - \frac{μ_{normaln} n}{q} \frac{d E_{Fn}}{d x}

J_{normalp} = \frac{μ_{normalp} p}{q} \frac{d E_{Fp}}{d x}

- \frac{d J_{normaln}}{d x} - U_{normaln} + G = \frac{d n}{d t}

- \frac{d J_{normalp}}{d x} - U_{normalp} + G = \frac{d p}{d t}

\frac{d}{d x} (ε_{0} ε_{normalr} \frac{dΨ}{d x}) = - q (p - n + N_{normalD}^{+} - N_{normalA}^{-} + \frac{ρ_{def}}{q})

where Ψ is the electrostatic potential, ε 0 and ε r is the permittivity of vacuum and semiconductor, n and p are the respective carrier densities, N D + are N...…”

Section: Methodsmentioning

confidence: 99%

“…[40][41][42][43][44][45][46][47][48] setup, etc. [49][50][51][52][53][54][55][56][57][58] It is a Poisson-Schrodinger solver in one dimension which iteratively solves coupled electrostatic Poisson's and continuity equations, drift-diffusion equation and generationrecombination profiles, using the Gummel iteration method with Newton-Ralphson substeps alongside the length of the device, at the junction under various illumination and biasing conditions. Applying relevant boundary conditions at the interfaces and different contacts, SCAPS solves the coupled differential equations in (Ψ, n, p) or (Ψ, E Fn , E Fp ).…”

Section: Simulation Detailsmentioning

confidence: 99%

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Bandgap Assessment of Compositional Variation for Uncovering High‐Efficiency Improved Stable All‐Inorganic Lead‐Free Perovskite Solar Cells

Prabu

Malathi

Kumar

et al. 2023

Physica Status Solidi (a)

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The quest for suitable material technology becomes an imperative aspect of PV energy conversion applications. Pursuing ideal materials or designing efficient PV devices requires a keen understanding of underlying PV action and material properties. These include defect-free, chemically and mechanically stable, semiconductive, and absorption properties, which could be easily tuned, manipulated, and readily fabricated. The candidate for such a futuristic material could be a perovskite solar cell (PSC), which has a dramatically improved performance over the last decade. [4] Recent reports observed a steep rise in efficiency from %3% to %25.5% for Pb-based hybrid perovskites (a combination of MAPbI 3 and FAPbI 3 ). [5][6][7][8] These hybrid compositions of PSC are susceptible to long-term stability issues due to temperature, moisture exposure cycle, lead (Pb)based toxicity, and I-V hysteresis characteristics, which limit or question their practical use. [9][10][11] Therefore, the significant research gap is to find practical solutions to the Pb-toxicity and stability issue while preserving or improving the inherent performance and remarkable photophysical properties. Stability issues in hybrid organic-inorganic perovskite are severe limiting issues, mainly due to hygroscopicity, volatility, and thermal and chemical instability of organic cations. It is likely resolved by replacing the organic part with inorganic-based perovskite. [12] For addressing stability issue, organic cations such as CH 3 NH 3 þ (methylammonium, MA) and (HC(NH 2 ) 2 þ (formamidium, FA) are substituted with inorganic cations such as Cs and Rb. For addressing Pb toxicity issues, Pb is substituted with same group elements Sn and Ge. [13][14][15][16][17][18] The fully inorganic perovskite are continually explored to identify suitable replacements for Pb toxicity and MA stability issues while maintaining perovskite's superior optical properties. The inorganic absorberbased devices of CsPbI 3 have shown efficiency of 20%. [19] These inorganic absorbers perform comparatively with original hybrid organic-inorganic (MAPbI 3 , FAPbI 3 ) perovskites; however, it does not answer the lead presence issue. Sn-replaced Pb perovskites have shown high absorption and optical properties, optimal bandgap, and efficiency around 10% in FASnI 3 devices. This Sn substitution solves the Pb toxicity issues; however, Sn readily goes under oxidation from Sn þ2 to Sn þ4 , which rapidly degrades device performances and further aggravates the stability issues. Literature reports have shown that partial substitution

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Computational analysis of chalcogenides as an inorganic hole transport layer in perovskite solar cells

Cited by 17 publications

References 34 publications

CsSn_0.5Ge_0.5I₃‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

CsSn_0.5Ge_0.5I₃‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

Revealing the Role of Band Offsets on the Charge Carrier Dynamics of CsSn_0.5Ge_0.5I₃‐Based Perovskite Solar Cell: A Theoretical Study

Bandgap Assessment of Compositional Variation for Uncovering High‐Efficiency Improved Stable All‐Inorganic Lead‐Free Perovskite Solar Cells

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Computational analysis of chalcogenides as an inorganic hole transport layer in perovskite solar cells

Cited by 17 publications

References 34 publications

CsSn0.5Ge0.5I3‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

CsSn0.5Ge0.5I3‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

Revealing the Role of Band Offsets on the Charge Carrier Dynamics of CsSn0.5Ge0.5I3‐Based Perovskite Solar Cell: A Theoretical Study

Bandgap Assessment of Compositional Variation for Uncovering High‐Efficiency Improved Stable All‐Inorganic Lead‐Free Perovskite Solar Cells

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CsSn_0.5Ge_0.5I₃‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

CsSn_0.5Ge_0.5I₃‐Based Lead‐Free Highly Stable Perovskite Solar Cell: Numerical Modeling for Estimating Performance Ceiling

Revealing the Role of Band Offsets on the Charge Carrier Dynamics of CsSn_0.5Ge_0.5I₃‐Based Perovskite Solar Cell: A Theoretical Study