Optical performance analysis of InP nanostructures for photovoltaic applications

Saurabh, Siddharth; Hossain, M. Khalid; Singh, Sadhna; Agnihotri, Suneet Kumar; Samajdar, Dip Prakash

doi:10.1039/d3ra00039g

Cited by 16 publications

(4 citation statements)

References 78 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Examining a material’s physical characteristics can assist us in comprehending the condition of a material system and reveal potential applications for a substance. − For the analysis of the optical and electronic contribution of various elements in a perovskite solar absorber material, various optical and electronic properties such as band gap and band structure, density of states (DOS), and charge density distribution are essential to explore. Nowadays, scientists use the DFT technique to conduct a theoretical investigation of the physical characteristics of relevant materials. − However, a few experimental and theoretical works have been found on the titled perovskite. − This compound was successfully prepared by López et al using a mechanochemical process in a N 2 atmosphere, which revealed a phase transformation from orthorhombic (S.G: Pbnm , #62) to cubic (S.G: Pm 3̅ m , #221) symmetry above room temperature.…”

Section: Introductionmentioning

confidence: 99%

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr₃ Perovskite Solar Cells

et al. 2023

Self Cite

View full text Add to dashboard Cite

The power conversion efficiency (PCE) of cesium lead halide (CsPbX3, X = l, Br, and Cl)-based all-inorganic perovskite solar cells (PSCs) is still struggling to compete with conventional organic–inorganic halide perovskites. A combined material and device-related analysis is much needed to understand the working principle to explore the efficiency potential of CsPbX3-based PSCs. Therefore, here, density functional theory (DFT) and SCAPS-1D-based studies were reported to evaluate the photovoltaic (PV) performance of CsPbBr3-based PSCs. DFT is first applied to assess and extract structural and optoelectronic properties (band structure, density of states, Fermi surface, and absorption coefficient) of the considered absorber layer. The calculated electronic band gap (E g) of the CsPbBr3 absorber was 1.793 eV, which matched well with the earlier computed theoretical value. Additionally, the Pb 6p orbital contributed largely to the calculated density of states (DOS), and the electronic charge density map showed that the Pb atom acquired the majority of charges. In order to examine the optical response of CsPbBr3, optical characteristics were computed and correlated with electronic properties for its probable photovoltaic applications. Fermi surface computation showed multiband characters. Furthermore, to look for a suitable combination of the charge transport layer, a total of nine HTLs (Cu2O, CuSCN, P3HT, PEDOT:PSS, Spiro-MeOTAD, CuI, V2O5, CBTS, and CFTS) and six ETLs (TiO2, PCBM, ZnO, C60, IGZO, and WS2) are used considering the experimental E g (2.3 eV). The best power conversion efficiency (PCE) of 13.86% is reported for TiO2 and CFTS in combination with the CsPbBr3 absorber. The effects of operating temperature, series and shunt resistances, Mott–Schottky, capacitance, generation and recombination rates, quantum efficiency, and current–voltage density were also examined. The resulting PV properties were also compared with previously published data. Results reported in this study will pave the way for the development of high-efficiency all-inorganic CsPbBr3-based solar cells in the future.

show abstract

Section: Introductionmentioning

confidence: 99%

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr₃ Perovskite Solar Cells

et al. 2023

Self Cite

View full text Add to dashboard Cite

show abstract

“…In recent years, organic metal halide perovskites with the structural formula of AMX 3 (A = organic group; M = metal ion; and X = halide ions) have emerged as viable contenders for perovskite solar cell (PSC) technologies − due to their exceptional optoelectronic properties such as tunable band gap, high absorption coefficient, extended diffusion lengths, efficient charge transport, and long carrier lifetimes. − Although the lead-based perovskites show similar optical and electronic properties and have reached efficiencies exceeding 25%, which is comparable to that of crystalline silicon, their commercial application is still questionable due to the two major issues of toxicity and stability . These two factors drove the researchers to look for alternative materials for future PSCs considering the feasibility of commercialization. − Initially, tin (Sn) and germanium (Ge) were considered effective replacements for Pb-based perovskites due to the similarity in their valence shell electronic configuration (all three being group 14 elements) . However, the PCEs of Sn- and Ge-based PSCs are limited by their chemical and atmospheric instabilities in the desired oxidation state …”

Section: Introductionmentioning

confidence: 99%

Photovoltaic Performance Investigation of Cs₃Bi₂I₉-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

et al. 2023

Self Cite

View full text Add to dashboard Cite

Cs 3 Bi 2 I 9 as a solar absorber material is a strong contender for lead-free perovskite solar cells (PSCs). The presence of bismuth (Bi) in Cs 3 Bi 2 I 9 leads to the origin of interesting optoelectronic properties along with a suitable optical band gap and high absorption coefficient. However, further analysis of the crystal structure, optical, and electronic properties of this material is required for efficient photovoltaic (PV) applications. The potential of Cs 3 Bi 2 I 9 perovskite as an absorber layer for solar cells (SCs) was first analyzed by performing density functional theory (DFT) calculations to observe its structural, optical, and electronic properties. Band structure reveals an indirect band gap (2.42 eV), and density of states (DOS) data show good conductivity primarily contributed by the 5p and 6s orbital electrons of I and Bi atoms. Strong electronic charge buildup is seen in the electronic charge density map surrounding the I atom, as well as the covalent bonds between the I and Bi atoms. The frequency-dependent dielectric function and absorption calculations reveal that Cs 3 Bi 2 I 9 might be a potential material in optoelectronic and photovoltaic systems. We also performed numerical simulations using the one-dimensional solar cell capacitance simulator (SCAPS-1D) for 49 different PSC configurations with Cs 3 Bi 2 I 9 absorber, electron transport layers (ETLs) comprising WS 2 , indium−gallium−zinc oxide (IGZO), SnO 2 , ZnO, C 60 , TiO 2 , and phenyl-C61-butyric acid methyl ester (PCBM), and hole transport layers (HTLs) like Cu 2 O, CuSCN, NiO, poly(3-hexylthiophene) (P3HT), poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS), Spiro-MeOTAD, and CuI. Simulation results reveal that the Cu 2 O HTL exhibited the best power conversion efficiency (PCE) for all of the ETLs. Of the 49 configurations, the six best configurations with the Cu 2 O HTL and different ETLs were analyzed to study the effect of absorber and ETL thickness, series and shunt resistances, operating temperature, capacitance, Mott−Schottky, generation, and recombination rate on the PV performance. Current−voltage (J−V) characteristics and quantum efficiency (QE) were computed for all of these configurations to understand the impact of the absorber, ETL, and HTL on the PV parameters. This comprehensive simulation study will assist researchers in the fabrication of cheap and efficient PSCs without lead and open new horizons in the field of solar technology.

show abstract

“…6–10 However, the major challenges faced by the photovoltaic (PV) industry with hybrid perovskite technology are its poor stability (it breaks down with time upon exposure to moisture, light, heat, and oxygen), and neurotoxin lead content, which make it unfit for long-term outdoor use and commercial sales, respectively. 11–15…”

Section: Introductionmentioning

confidence: 99%

A comprehensive study of the optimization and comparison of cesium halide perovskite solar cells using ZnO and Cu₂FeSnS₄ as charge transport layers

et al. 2023

Self Cite

View full text Add to dashboard Cite

show abstract

Optical performance analysis of InP nanostructures for photovoltaic applications

Abstract: The optical performance of different indium phosphide (InP) nanostructures are investigated using Wave Optics Module of COMSOL Multiphysics. Our results indicate that InP based nanostructures outperform silicon based nanostructures.

Cited by 16 publications

References 78 publications

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr₃ Perovskite Solar Cells

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr₃ Perovskite Solar Cells

Photovoltaic Performance Investigation of Cs₃Bi₂I₉-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

A comprehensive study of the optimization and comparison of cesium halide perovskite solar cells using ZnO and Cu₂FeSnS₄ as charge transport layers

Contact Info

Product

Resources

About

Optical performance analysis of InP nanostructures for photovoltaic applications

Abstract: The optical performance of different indium phosphide (InP) nanostructures are investigated using Wave Optics Module of COMSOL Multiphysics. Our results indicate that InP based nanostructures outperform silicon based nanostructures.

Cited by 16 publications

References 78 publications

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr3 Perovskite Solar Cells

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr3 Perovskite Solar Cells

Photovoltaic Performance Investigation of Cs3Bi2I9-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

A comprehensive study of the optimization and comparison of cesium halide perovskite solar cells using ZnO and Cu2FeSnS4 as charge transport layers

Contact Info

Product

Resources

About

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr₃ Perovskite Solar Cells

Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr₃ Perovskite Solar Cells

Photovoltaic Performance Investigation of Cs₃Bi₂I₉-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

A comprehensive study of the optimization and comparison of cesium halide perovskite solar cells using ZnO and Cu₂FeSnS₄ as charge transport layers