Yousaf H. Khattak
@fuuastisb.edu.pk
Electrical Engineering
Federal Urdu University of Arts, Science & Technology, Islamabad
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Scopus Publications
Feriel Bouhjar, Lotfi Derbali, Yousaf Hameed Khattak, and Bernabe Mari
Elsevier BV
Yousaf Hameed Khattak, Faisal Baig, Amal Bouich, Júlia Marí-Guaita, Ahmed Shuja, and Bernabé Marí Soucase
Elsevier BV
Amal Bouich, Joeluis Cerutti Torres, Yousaf Hameed Khattak, Faisal Baig, Julia Marí-Guaita, Bernabé Marí Soucase, Antonio Mendez-Blas, and Pablo Palacios
Elsevier BV
Imen Harabi, Yousaf Hameed Khattak, Safa Jemai, Shafi Ullah, Hanae Toura, and Bernabe Mari Soucase
Elsevier BV
Amal Bouich, Joeluis Cerutti Torres, Hasnae Chfii, Julia Marí-Guaita, Yousaf Hameed Khattak, Faisal Baig, Bernabé Marí Soucase, and Pablo Palacios
Elsevier BV
Sajid Khan, Nasir Mehmood, Rashid Ahmad, Asma Kalsoom, and Khalid Hameed
Elsevier BV
Yousaf Hameed Khattak, Erika Vega, Faisal Baig, and Bernabé Marí Soucase
Elsevier BV
Yousaf Hameed Khattak, Faisal Baig, Ahmed Shuja, Lahoucine Atourki, Kashif Riaz, and Bernabé Marí Soucase
American Chemical Society (ACS)
Faheem Ahmed, Faisal Baig, Yousaf Hameed Khattak, Hanif Ullah, and Bernabe Mari Soucase
Allerton Press
Ho Soonmin, S.S. Hegde, K. Ramesh, J.K. Dongre, Yousaf Hameed Khattak, Xiang-Hua Zhang, Sadanand, D.K. Dwivedi, and D.A. Oeba
Elsevier
Yousaf Hameed Khattak, Faisal Baig, Ahmed Shuja, Saira Beg, and Bernabé Marí Soucase
Elsevier BV
Abstract In this work, detailed analysis and guidelines were provided using solar cell capacitance software (SCAPS) to characterize possible novel n i p structures for M A P b I 3 based perovskite solar cells having device power conversion efficiency (PCE) greater than 22%. To accomplish this task, we first optimize the performance of T i O 2 / M A P b I 3 / S p i r o - M e O T A D device structure by finding the optimal parameters of thickness and doping concentration for each layer. After device optimization, we first apply eight different electron transport layers (ETL) to the given device structure by replacing each with T i O 2 in the SCAPS environment and analyzing the effect of each ETL on device performance. After evaluating device structure with different ETL layers, we then apply six different kesterite and quaternary compounds as a possible candidate for the HTL layer. From an analysis, we found forty-nine new possible n i p device structures for each ETL and HTL layer having PCE variation from a value of 2% to 26.69%. Among them the best possible n i p structures, we achieved are E T L / M A P b I 3 / C N T S having PCE greater than 24.84% to the maximum value of 26.69%.
Faisal Baig, Yousaf Hameed Khattak, Ahmed Shuja, Kashif Riaz, and Bernabé Marí Soucase
Elsevier BV
Abstract A novel structure is proposed in this work for the efficiency enhancement of experimentally designed Sb 2 Se 3 solar cell by device optimization, the band offset engineering, and Hole Transport Layer (HTL) with the aid of numerical modeling in SCAPS-1D simulator. J − V result of an experimental device was replicated in SCAPS-1D to validate simulated results. After validation of experimental solar cell result, device optimization of Sb 2 Se 3 / ZnO/FTO solar cell was performed and after device optimization, power conversion efficiency (PCE) of solar cell jumps from 3.59% to 11.29%. The PCE was further enhanced to value 14.46% by adjusting the band offset between Sb 2 Se 3 / ZnO interface. This task was accomplished by introducing Sn doped ZnO layer. Lastly, different HTL layers was applied to Sb 2 Se 3 / Zn Sn , O / FTO solar cell and among them CZTSe as HTL gave highest values of Fill Factor ( FF ) , PCE, open circuit voltage ( V OC ) and short circuit current ( J SC ) , 81.18% and 18.50%, 0.66 V and 34.66 mA / cm 2 .
Saqib Iqbal, Kashif Riaz, Hassan Imran, Yousaf Hameed Khattak, Faisal Baig, and Zubair Ahmad
Elsevier BV
Abstract As the efficiency of conventional silicon (Si) solar cell is reaching closer to its thermodynamic limit, its tandem integration with emerging perovskite (PVK) solar cell is being widely explored. In this work, we use self-consistent optical and electrical simulations to computationally explore monolithically stacked 2-terminal (2-T), 2-junction (2-J) PVK/Si tandem solar cell. The optical model is based on Lambert-Beer Law while electrical model is based on drift-diffusion approach. The tandem solar cell is explored for both monofacial and bifacial configurations. The simulations show that the cell design for optimal operations is highly dependent on perovskite thickness and albedo. Under optimal design, the bifacial PVK/Si tandem cell exhibits ∼32.5% for average earth albedo of 30%. Moreover, the cell exhibits a remarkable temperature coefficient of ∼-0.27%. Moreover, our simulation results are in good agreement with both experimental and highly intensive optical model based simulation data. With our computationally inexpensive optical model, the optimal cell design for different tandem structures can be explored in a much easier way.
Yousaf Hameed Khattak, Faisal Baig, Hanae Toura, Imen Harabi, Saira Beg, and Bernabé Marí Soucase
Elsevier BV
Abstract The high absorption coefficient and direct optical band gap of a kesterite Cu2ZnSnS4 (CZTS) makes it very promising absorber material in the manufacturing of high efficiency and low-cost thin film photovoltaic cells. Single step electrochemical deposition of CZTS quaternary compound thin films on Indium tin oxide (ITO) substrates is reported in this work. The films were obtained from aqueous solutions at room temperature. The key objective of this work is to examine the effect of annealing temperature on CZTS thin films. Sulfurization of thin films was performed under different temperature range from 400 °C to 550 °C. Good crystal structure was achieved at temperature 500 °C with the complexing agent of trisodium citrate. Deposited films material composition was evaluated by analyzing UV–visible spectroscopy, EDS, FE-SEM and XRD. The thin film with good morphological, structural and optical (1.51 eV) properties was achieved at temperature 500 °C. The results reported in this work will provide an imperative guideline for efficient low-cost design of CZTS thin films.
Hanae Toura, Yousaf Hameed Khattak, Faisal Baig, Bernabe Mari Soucase, and Mohamed Ebn Touhami
Elsevier BV
Abstract Kesterite C u 2 Z n S n S 4 ( C Z T S ) with an optimal band gap of 1.5 e V is an auspicious material to be used as absorber layer high efficiency thin film photovoltaic cells. Effect of substrates on the morphology and structural properties of CZTS kesterite thin films were analyzed by depositing CZTS on Molybdenum, Indium doped tin oxide, and Fluorine doped tin oxide via electrochemical deposition method. The electrolyte contains C u S o 4 , Z n S o 4 , S n S o 4 and N a 2 S 2 O 3 as precursors, with N a 3 C 6 H 5 O 7 and C 4 H 6 O 6 as complexing agents. Electrochemical depositions were carried out at room temperature with a voltage of −1.05 V vs. Ag/AgCl reference electrode. Films were annealed at a temperature around 450 °C and then characterized by X-ray diffraction. The characterization shows the development of CZTS kesterite structure, with a good crystallinity on Mo substrates and phase purity, which were also confirmed by Raman spectroscopy and scanning electron microscopy. Then optical measurements showed that the deposited thin films present a bandgap of around 1.47 eV. Correspondingly, the effect of metal contact work function for these substrates were also investigated with the aid of device modeling software SCAPS. The analysis shows that for given solar cell structure, back contact/CZTS/CdS/ZnO, Mo substrates presented better performance.
Yousaf Hameed Khattak, Faisal Baig, Hanae Toura, Saira Beg, and Bernabé Marí Soucase
Springer Science and Business Media LLC
Copper barium tin sulfide (CBTS) is a direct band gap earth abundant, non-toxic and quaternary semiconductor compound. It is used as absorber because of its direct band gap of 1.9 eV. A numerical guide is proposed for CBTS-based photovoltaic cell to enhance the efficiency of experimentally designed device with introducing Cu2O as back surface field (BSF) layer by means of numerical modeling. Device optimization was performed in SCAPS–1D software under 1.5 AM illumination spectrum. After introducing BSF layer and optimized physical parameters, promising result was achieved with PCE of 9.72%, Voc of 0.81 V, Jsc of 15.73 mA/cm2 and FF of 78.23%. The promising outcomes of this work will give a guideline for the feasible production of high-efficiency inorganic CBTS-based photovoltaic cells.
Faisal Baig, Yousaf Hameed Khattak, Saira Beg, and Bernabé Marí Soucase
Elsevier BV
Abstract S b 2 S e 3 antimony selenide is a great potential for solar cell commercial application with good absorption coefficient and optimal band gap. In recent years the maximum power conversion efficiency (PCE) achieved from S b 2 S e 3 is about 6.5% with C N T / P b S / S b 2 S e 3 / C d S / I T O structure. In this structure P b S works as hole transport material (HTM), C d S as buffer layer and A u as back contact. But the toxic nature of ( C d , P b ) and high cost of A u contact it cannot be considered for commercial application. Because of this reason for the first-time alternate solar cell structure with C u 2 O as HTM layer, I n 2 S 3 as buffer layer and carbon nano tube (CNT) electrode used as a back contact is proposed in this work for S b 2 S e 3 . Device modeling for solar cell with structure C N T / C u 2 O / S b 2 S e 3 / I n 2 S 3 / I T O was performed in solar cell capacitance simulator (SCAPS). After optimization of physical parameters like absorber thickness, acceptor doping of absorber layer, donor doping of buffer and replacing C d S buffer layer with I n 2 S 3 efficiency of experimentally designed cell jumped from 6.5% to 13.20%.
Yousaf Hameed Khattak, Faisal Baig, Hanae Toura, Saira Beg, and Bernabé Marí Soucase
Springer Science and Business Media LLC
A MASnI3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{MASnI}}_{3} $$\\end{document} -based perovskite solar cell with structure CZTSe/MASnI3/TiO2/FTO\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{CZTSe}}/{\\hbox{MASnI}}_{3} /{\\hbox{TiO}}_{ 2} /{\\hbox{FTO}} $$\\end{document} was proposed in this work. To accomplish this task, first, the effect of different kesterite and stannite CZTS,CBTS,CFTS,CMTS,CNTS,CZTSe\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\left( {{\\hbox{CZTS}}, {\\hbox{CBTS}}, {\\hbox{CFTS}}, {\\hbox{CMTS}}, {\\hbox{CNTS}}, {\\hbox{CZTSe}}} \\right) $$\\end{document} compounds as hole transport layer HTL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\left( {\\hbox{HTL}} \\right) $$\\end{document} simulations were performed in a solar cell capacitance simulator. All simulations were performed in 1.5G1sun\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ 1.5G \\;1\\;{\\hbox{sun}} $$\\end{document} light spectrum. From the results it was found that valance band offset of the absorber/HTL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{HTL}} $$\\end{document} interface affects the performance of the solar cell, and among different HTL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{HTL}} $$\\end{document}, CZTSe\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{CZTSe}} $$\\end{document} is proven to be a suitable candidate for HTL. After selection of CZTSe\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{CZTSe}} $$\\end{document} as HTL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{HTL}} $$\\end{document} for aMASnI3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{MASnI}}_{3} $$\\end{document} solar cell, device optimization was performed by analyzing the absorber and HTL\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{HTL}} $$\\end{document} thicknesses and doping concentrations on device performance. After analysis, improved functional parameters were attained with a conversion efficiency of 19.52%, short-circuit current of 29.45 mA/cm2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{mA}}/{\\hbox{cm}}^{2} $$\\end{document} open circuit voltage of 0.86V\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ 0.86\\;{\\hbox{V}} $$\\end{document} and fill factor of 76.74%. The concept presented in this work for modeling of MASnI3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\hbox{MASnI}}_{3} $$\\end{document} -based devices, will categorically provide ways for the feasible fabrication of a high-efficiency solar cell.
Hanae Toura, Yousaf Hameed Khattak, Faisal Baig, Bernabe Mari Soucase, Mohamed Ebn Touhami, and Bouchaib Hartiti
Elsevier BV
Abstract C u 2 Z n S n S 4 kesterite thin films have been electrochemically deposited on indium doped tin oxide ( I T O ) coated glass substrates from an aqueous electrolyte solution containing C u S o 4 , Z n S o 4 , S n S o 4 and N a 2 S 2 O 3 precursors in one step deposition. The purpose of this work is to reduce the cost of fabrication of C Z T S thin films with good crystallinity by investigated the effect of complexing agent N a 2 S o 4 with N a 3 C 6 H 5 O 7 on annealing temperature of C Z T S thin film. Based on the results it was found that good crystal structure was achieved at temperature 350 °C, that is below the reported annealing temperature in the literature. The electrodeposition process was maintained at room temperature with a working potential set at −1.05 V vs. A g / A g C l . The annealed C Z T S films were characterized by X-ray diffraction revealed the formation of a crystalline phase C Z T S with major and intense peaks. Scanning electron microscopy ( S E M ) analysis stick to E D S show compact and uniform surface morphology with a spherical crystalline geometry and near stoichiometry metal atomic ratio for the different samples prepared. Atomic force microscopy ( A F M ) analysis confirms these results. From UV–visible spectroscopy, bandgap of around 1.5 e V was estimated for the kesterite thin films.
Shafi Ullah, Amal Bouich, Faisal Baig, Yousaf hameed Khattak, Miguel Mollar, Bernabe Mari, and Hanif Ullah
IEEE
Binary SnS<inf>2</inf> and ternary Sn<inf>1-x</inf> Fe<inf>x</inf>S<inf>2</inf> (X = Fe (2.5%, 5% and 10%) powders have been successfully prepared by hydrothermal method. The structure, morphology, elemental composition, optical properties of the obtained product were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), electron dispersive spectroscopy (EDS) and UV-vis spectroscopy. It was found that the Fe could be effectively incorporated in the obtained Sn<inf>1-x</inf>Fe<inf>x</inf>S<inf>2</inf> compounds. According to XRD analysis, increased concentration of Fe in the Sn<inf>1-x</inf>Fe<inf>x</inf>S<inf>2</inf> compounds results in a gradual degradation of the crystallinity. The energy band was found to be 1.5 eV, 2.1 eV and 2.2 eV for SnS and SnS2 respectively. Mott-Schottky measurements was performed for SnS<inf>2</inf> to identify the n-type character of SnS<inf>2</inf> samples.
Faisal Baig, Yousaf Hameed Khattak, Safa Jemai, Bernabé Marí Soucase, and Saira Beg
Elsevier BV
Abstract Water splitting to produce hydrogen using semiconductor material has been a focus of intense research in last few years. The main challenge to accomplish this task is to find a suitable band gap, non-toxic and earth abundant material for photoelectrochemical (PEC) process. α - F e 2 O 3 is proven to be a suitable candidate for PEC process because of its stability, non-toxic nature, abundance is nature and a narrow band gap of (1.9–2.2 eV). In this work V-doped α - F e 2 O 3 cubic particles were deposited on ITO substrate by hydrothermal and annealing method. The composition of V was controlled in bath solution by changing the concentration of V from 0 to 3%. After successful deposition, all samples were characterized by structural studies using x-ray diffraction, morphological studies using scanning electron microscopy (SEM) and transmission electron microscopy (TEM), optical studies using UV–VIS spectroscopy to measure band gap (eV) and chronoamperometry was applied to measure photo response of samples. SEM and TEM studies revealed cubic particles with size varying from 350 nm to 400 nm. XRD studies confirms hematite structure for V-doped and undoped α - F e 2 O 3 samples. Optical studies show a variation of band gap from 1.89 eV ∼ 2.09 eV. Chronoamperometry studies revealed that 3%V-doped samples displayed 16 times higher PEC activity with respect to undoped α - F e 2 O 3 film. The higher current density can be attributed to band gap narrowing and increased donor density. Result provided in this work can provide an imperative guideline for the design of efficient photocatalysis application using α - F e 2 O 3 .
Faisal Baig, Yousaf Hameed Khattak, Bernabé Marí Soucase, Saira Beg, and Shafi Ullah
Elsevier BV
Abstract Successive ionic layer adsorption and reaction (SILAR) technique with different anionic bath temperatures (40 °C, 60 °C, 80 °C) was used to deposit Cu 2 O films on ITO substrate. Studies carried out and reported in this work are crystal structure of Cu 2 O (XRD), transmittance, optical band gap, surface morphological of Cu 2 O and photocatalytic activity of deposited Cu 2 O films. The structural study revealed that the crystalline quality was gradually enhanced with increase in bath temperature and preferential orientation of crystal structure is along (111) that is cubic nature. Optical study for Cu 2 O film shows that anionic bath temperature influences the transmittance and optical band gap of deposited Cu 2 O samples. SEM images revealed that the morphology for Cu 2 O film deposited on ITO substrate were of nanowire like structures and with increase in temperature of anionic bath wire structure grows more compact. Photoelectrochemical (PEC) studies revealed that Cu 2 O deposited at 80 °C shows high photocurrent and good stability.
Yousaf Hameed Khattak, Faisal Baig, Bernabé Marí Soucase, Saira Beg, Syed Rizwan Gillani, and Salman Ahmed
Elsevier BV
Abstract C u 2 N i S n S 4 is non-toxic earth abundant material and a promising quaternary semiconductor compound. It is conspicuous and suitable class of material for the manufacturing of high efficiency, low cost and sustainable thin film photovoltaic cell. A novel structure C N T S / Z n S / Z n ( O , S ) / F T O is proposed in this work for the efficiency enhancement of C N T S based photovoltaic cell. Up till now there has been no model proposed to use Z n ( O , S ) as electron transport layer for C N T S based device. In this work we proposed for the first time a novel Z n ( O , S ) electron transport layer for the efficiency enhancement of C N T S thin film photovoltaic cell. Device modeling is performed on solar cell capacitance simulator (SCAPS) program under 1.5 A M illumination spectrum. Promising optimized functional parameters had been achieved with the conversion efficiency of 17.06%, open circuit voltage ( V o c ) of 664 m V , short-circuit current ( J s c ) of 31.19 m A / c m 2 and fill factor ( F F ) of 82.37%. The above results will give an imperative guideline for the feasible fabrication of high efficiency C N T S based photovoltaic cells.
Faisal Baig, Yousaf Hameed Khattak, Bernabé Marí, Saira Beg, Syed Rizwan Gillani, and Abrar Ahmed
Elsevier BV
Abstract Lead halide perovskite solar cells (LHPSC) are of great potential for commercial application with conversion efficiency exceeding 20%. But the toxic nature of lead, fabrication of perovskite solar cell is still not considered for commercial applications. Methylammonium tin halide perovskite ( M A S n I 3 ) is being used as an alternate absorber layer for replacement of LHPSC but the power conversion efficiency (PCE) achieved from M A S n I 3 solar cell is still far less from LHPSC. To investigate the limitation of M A S n I 3 solar cell performance numerical analysis was performed. For device modeling different electron transport layer (ETL) and methylammonium tin halide ( M A S n B r 3 ) as hole transport layer (HTL) was used. From analysis it was revealed that open circuit voltage ( V 0 c ), short cicuit current ( J s c ), fill factor ( F F ) and P C E are highly depended on ETL conduction band offset ( C B O ) between ETL/Absorber ( M A S n I 3 ) interface, thickness of ETL and donor doping concentration of ETL. With + C B O at junction a “cliff” is formed at the interface, this leads to high interface recombination because of built in potential to separate charge carriers. In contrast to - C B O a “spike” suppress interface recombination but a larger value of spike will lead to degradation of device performance. For selection of ETL, a moderate value of - C B O is required and this is achieved by changing elemental composition of ETL alloy materials ( C d 1 - x Z n x S , Z n S 1 - x O x ). These materials are expected to provide higher conversion efficiency for M A S n I 3 solar cell. A novel concept in numerical modeling is presented which will categorically offer new direction for the fabrication of high efficiency photovoltaic devices.