{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T22:02:40Z","timestamp":1790114560641,"version":"4.0.1"},"reference-count":100,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T00:00:00Z","timestamp":1785974400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006701","name":"Umm al-Qura University","doi-asserted-by":"crossref","award":["26UQU4330024GSSR02"],"award-info":[{"award-number":["26UQU4330024GSSR02"]}],"id":[{"id":"10.13039\/501100006701","id-type":"DOI","asserted-by":"crossref"}]},{"award":["26UQU4330024GSSR02"],"award-info":[{"award-number":["26UQU4330024GSSR02"]}],"id":[{"id":"https:\/\/ror.org\/01xjqrm90","id-type":"ROR","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nanomaterials"],"abstract":"<jats:p>Mixed halide perovskites can be tuned for bandgap, but they are prone to thermal defect deterioration that is difficult to evaluate throughout the whole stoichiometry range. Here, we investigate the relationship between Br composition, trap density, and temperature. It is observed that asymmetric thermal defect trade-offs provide predictive design principles beyond obvious efficiency trends. We use SCAPS-1D to model MAPb(BrxI1\u2212x)3 solar cells. Simulation parameters include continuous bowing-corrected functions of Br fraction (0 \u2264 x \u2264 1), temperature (300\u2013350 K), and trap density (1011\u20131020 cm\u22123). Despite a trade-off between short circuit current and open circuit voltage with Br incorporation (power conversion efficiency drops from ~25.5% at x = 0 to ~12% at x = 1), important results reveal non-trivial asymmetries: (i) Br-rich compositions are more sensitive to trap-assisted SRH recombination at Nt &gt; 1018 cm\u22123 than I-rich absorbers; (ii) the thermal degradation coefficient dVoc\/dT is lower for Br-rich systems than for I-rich systems, indicating improved thermal tolerance for Br-rich systems; and (iii) these quantitative design guidelines give predicted assistance for producing mixed halide perovskite devices with higher operational stability.<\/jats:p>","DOI":"10.3390\/nano16150965","type":"journal-article","created":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T09:46:38Z","timestamp":1786009598000},"page":"965","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Design of MAPb(BrxI1\u2212x)3-Based Solar Cells: Compositional Optimization for Thermally Stable and Defect-Tolerant Devices"],"prefix":"10.3390","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9795-6380","authenticated-orcid":false,"given":"Syed Abdul","family":"Moiz","sequence":"first","affiliation":[{"name":"Device Simulation Laboratory, Department of Electrical Engineering, College of Engineering and Architecture, Umm Al-Qura University, Makkah 21955, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6538-2984","authenticated-orcid":false,"given":"Muhammad I.","family":"Masud","sequence":"additional","affiliation":[{"name":"Department of Electrical Engineering, College of Engineering, University of Business and Technology, Jeddah 21361, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9874-0992","authenticated-orcid":false,"given":"Muhammad","family":"Kashif","sequence":"additional","affiliation":[{"name":"School of Electrical and Information Engineering, Tianjin University, 92 Weijin Road, Nankai District, Tianjin 300072, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,8,6]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"425","DOI":"10.1002\/pip.3831","article-title":"Solar cell efficiency tables (Version 64)","volume":"32","author":"Green","year":"2024","journal-title":"Prog. Photovolt."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1002\/pip.3867","article-title":"Solar cell efficiency tables (version 65)","volume":"33","author":"Green","year":"2025","journal-title":"Prog. Photovolt. Res. Appl."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1038\/s44359-026-00173-2","article-title":"Taking perovskite photovoltaics from promise to product","volume":"2","author":"Harit","year":"2026","journal-title":"Nat. Rev. Clean. Technol."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"2307357","DOI":"10.1002\/adma.202307357","article-title":"Toward the commercialization of perovskite solar modules","volume":"36","author":"Zhu","year":"2024","journal-title":"Adv. Mater."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1007\/s40820-020-00578-z","article-title":"Lead-free perovskite materials for solar cells","volume":"13","author":"Wang","year":"2021","journal-title":"Nano-Micro Lett."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"9370089","DOI":"10.26599\/EMD.2026.9370089","article-title":"Eco-friendly lead-free and low-lead perovskite solar cells","volume":"4","author":"Huang","year":"2026","journal-title":"Energy Mater. Devices"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"4846","DOI":"10.1039\/D5SC09981A","article-title":"Innovative chemical design and regulation strategies for overcoming lead toxicity in perovskite-based optoelectronics: A new perspective","volume":"17","author":"Liu","year":"2026","journal-title":"Chem. Sci."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"2410327","DOI":"10.1002\/adma.202410327","article-title":"Natural and Nature-Inspired Biomaterial Additives for Metal Halide Perovskite Optoelectronics","volume":"37","author":"Han","year":"2025","journal-title":"Adv. Mater."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1039\/D1EE02882K","article-title":"Development of encapsulation strategies towards the commercialization of perovskite solar cells","volume":"15","author":"Ma","year":"2022","journal-title":"Energy Environ. Sci."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"790","DOI":"10.1016\/j.nanoms.2025.02.005","article-title":"A review of encapsulation methods and geometric improvements of perovskite solar cells and modules for mass production and commercialization","volume":"7","author":"Yang","year":"2025","journal-title":"Nano Mater. Sci."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1007\/s40820-026-02087-x","article-title":"Advances of Self-Healing Polymers Incorporated in Perovskite Solar Cells for High Durability","volume":"18","author":"Li","year":"2026","journal-title":"Nano-Micro Lett."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1016\/j.solener.2020.09.018","article-title":"Self-healing perovskite solar cells","volume":"209","author":"Yu","year":"2020","journal-title":"Sol. Energy"},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1703178","DOI":"10.1002\/aenm.201703178","article-title":"Efficient perovskite solar cells fabricated by Co partially substituted hybrid perovskite","volume":"8","author":"Xu","year":"2018","journal-title":"Adv. Energy Mater."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"16191","DOI":"10.1039\/C6TA07647E","article-title":"Distribution of bromine in mixed iodide\u2013bromide organolead perovskites and its impact on photovoltaic performance","volume":"4","author":"Zhou","year":"2016","journal-title":"J. Mater. Chem. A"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"2301052","DOI":"10.1002\/adom.202301052","article-title":"Mixed-halide inorganic perovskite solar cells: Opportunities and challenges","volume":"11","author":"Yang","year":"2023","journal-title":"Adv. Opt. Mater."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1038\/nature14133","article-title":"Compositional engineering of perovskite materials for high-performance solar cells","volume":"517","author":"Jeon","year":"2015","journal-title":"Nature"},{"key":"ref_17","doi-asserted-by":"crossref","unstructured":"Cordero, F., Craciun, F., Paoletti, A.M., and Zanotti, G. (2021). Structural Transitions and Stability of FAPbI3 and MAPbI3: The Role of Interstitial Water. Nanomaterials, 11.","DOI":"10.3390\/nano11061610"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"101384","DOI":"10.1016\/j.mtcomm.2020.101384","article-title":"Compositional study of mixed halide perovskite films CH3NH3Pb(I1-xBrx)3 and CH3NH3Pb(I1-xClx)3 prepared by close space sublimation","volume":"25","author":"Percino","year":"2020","journal-title":"Mater. Today Commun."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"22604","DOI":"10.1039\/C9TA08848B","article-title":"Influence of bromide content on iodide migration in inverted MAPb (I1\u2212xBrx)3 perovskite solar cells","volume":"7","author":"Ferdani","year":"2019","journal-title":"J. Mater. Chem. A"},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"13431","DOI":"10.1021\/acsaem.1c03095","article-title":"Reduced barrier for ion migration in mixed-halide perovskites","volume":"4","author":"McGovern","year":"2021","journal-title":"ACS Appl. Energy Mater."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"3152","DOI":"10.1021\/acsenergylett.0c01474","article-title":"Lattice compression increases the activation barrier for phase segregation in mixed-halide perovskites","volume":"5","author":"Muscarella","year":"2020","journal-title":"ACS Energy Lett."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"2203911","DOI":"10.1002\/aenm.202203911","article-title":"Challenges and perspectives toward future wide-bandgap mixed-halide perovskite photovoltaics","volume":"13","author":"Xu","year":"2023","journal-title":"Adv. Energy Mater."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"1903090","DOI":"10.1002\/aenm.201903090","article-title":"New strategies for defect passivation in high-efficiency perovskite solar cells","volume":"10","author":"Akin","year":"2020","journal-title":"Adv. Energy Mater."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/j.apcatb.2019.04.050","article-title":"Stable hybrid perovskite MAPb (I1\u2212xBrx)3 for photocatalytic hydrogen evolution","volume":"253","author":"Zhao","year":"2019","journal-title":"Appl. Catal. B Environ."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"2000579","DOI":"10.1002\/solr.202000579","article-title":"Perovskite passivation strategies for efficient and stable solar cells","volume":"5","author":"Li","year":"2021","journal-title":"Sol. RRL"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1016\/j.solmat.2014.10.036","article-title":"Theoretical analysis on effect of band offsets in perovskite solar cells","volume":"133","author":"Minemoto","year":"2015","journal-title":"Sol. Energy Mater. Sol. Cells"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"045009","DOI":"10.1088\/2515-7655\/adf357","article-title":"Efficiency boost of perovskite solar cell in homojunction configuration through tailored band alignment and p\u2013n doping profile","volume":"7","author":"Saha","year":"2025","journal-title":"J. Phys. Energy"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"116509","DOI":"10.1016\/j.ssc.2026.116509","article-title":"Transition to Pb-reduced MAPbI3 perovskite solar cells via bandgap grading using MASnI3 front and MAGeI3 back absorbers","volume":"416","author":"Bommidi","year":"2026","journal-title":"Solid State Commun."},{"key":"ref_29","doi-asserted-by":"crossref","unstructured":"Paz Totolhua, E., Carrillo L\u00f3pez, J., Hern\u00e1ndez de la Luz, J.\u00c1.D., Monfil Leyva, K., Flores-M\u00e9ndez, J., Pi\u00f1\u00f3n Reyes, A.C., Hern\u00e1ndez Sim\u00f3n, Z.J., and Luna L\u00f3pez, J.A. (2025). Enhanced efficiency of mixed-halide perovskite solar cells through optimization of the layer thicknesses, defect density, and metal contact work function. Materials, 18.","DOI":"10.3390\/ma18071601"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"7342","DOI":"10.1039\/D4RA08323G","article-title":"Probing high-efficiency Cs0.05 (FA0.77MA0.23) 0.95 Pb (I0.77Br0.23)3-based perovskite solar cells through first principles computations and SCAPS-1D simulation","volume":"15","author":"Saidani","year":"2025","journal-title":"RSC Adv."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"e29599","DOI":"10.1016\/j.heliyon.2024.e29599","article-title":"SCAPS-1D simulated organometallic halide perovskites: A comparison of performance under Sub-Saharan temperature condition","volume":"10","author":"Ozurumba","year":"2024","journal-title":"Heliyon"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"296","DOI":"10.1016\/j.tsf.2012.10.032","article-title":"Advanced electrical simulation of thin film solar cells","volume":"535","author":"Burgelman","year":"2013","journal-title":"Thin Solid Film."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1002\/pip.524","article-title":"Modeling thin-film PV devices","volume":"12","author":"Burgelman","year":"2004","journal-title":"Prog. Photovolt. Res. Appl."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"6276","DOI":"10.1016\/j.tsf.2006.12.049","article-title":"Numerical modeling of intra-band tunneling for heterojunction solar cells in scaps","volume":"515","author":"Verschraegen","year":"2007","journal-title":"Thin Solid Film."},{"key":"ref_35","doi-asserted-by":"crossref","unstructured":"Moiz, S.A. (2021). Optimization of hole and electron transport layer for highly efficient lead-free Cs2TiBr6-based perovskite solar cells. Photonics, 9.","DOI":"10.3390\/photonics9010023"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"718","DOI":"10.1063\/1.1722077","article-title":"Calculation of the space charge, electric field, and free carrier concentration at the surface of a semiconductor","volume":"26","author":"Kingston","year":"1955","journal-title":"J. Appl. Phys."},{"key":"ref_37","first-page":"82","article-title":"The physics of the solar cell","volume":"Volume 2","author":"Gray","year":"2011","journal-title":"Handbook of Photovoltaic Science and Engineering"},{"key":"ref_38","unstructured":"Fonash, S.J. (2012). Solar Cell Device Physics, Elsevier."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"500","DOI":"10.1016\/j.apenergy.2015.05.035","article-title":"Cell modelling and model parameters estimation techniques for photovoltaic simulator application: A review","volume":"154","author":"Chin","year":"2015","journal-title":"Appl. Energy"},{"key":"ref_40","unstructured":"Burgelman, M., Decock, K., Niemegeers, A., Verschraegen, J., and Degrave, S. (2016). SCAPS Manual, University of Ghent."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"786","DOI":"10.1039\/tf9565200786","article-title":"Correlation factors for diffusion in solids","volume":"52","author":"Compaan","year":"1956","journal-title":"Trans. Faraday Soc."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"1948","DOI":"10.1063\/1.1461419","article-title":"Generalized Einstein relation for disordered semiconductors\u2014Implications for device performance","volume":"80","author":"Roichman","year":"2002","journal-title":"Appl. Phys. Lett."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1557\/jmr.2008.0125","article-title":"Optical and electrical modeling of thin-film silicon solar cells","volume":"23","author":"Zeman","year":"2008","journal-title":"J. Mater. Res."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"201304","DOI":"10.1103\/PhysRevB.93.201304","article-title":"Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors","volume":"93","author":"Alkauskas","year":"2016","journal-title":"Phys. Rev. B"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"1228","DOI":"10.1109\/JRPROC.1957.278528","article-title":"Carrier generation and recombination in pn junctions and pn junction characteristics","volume":"45","author":"Sah","year":"1957","journal-title":"Proc. IRE"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"7822","DOI":"10.1016\/j.tsf.2008.04.084","article-title":"Photoelectric behavior of n-GaAs\/orange dye, vinyl-ethynyl-trimethyl-piperidole\/conductive glass sensor","volume":"516","author":"Ahmed","year":"2008","journal-title":"Thin Solid Films"},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1126\/science.aaa5333","article-title":"Impact of microstructure on local carrier lifetime in perovskite solar cells","volume":"348","author":"Vorpahl","year":"2015","journal-title":"Science"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"11007","DOI":"10.1021\/acs.chemrev.9b00169","article-title":"Charge-carrier recombination in halide perovskites: Focus review","volume":"119","author":"Dequilettes","year":"2019","journal-title":"Chem. Rev."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"1377","DOI":"10.1039\/c4ee00168k","article-title":"Interface energetics in organo-metal halide perovskite-based photovoltaic cells","volume":"7","author":"Schulz","year":"2014","journal-title":"Energy Environ. Sci."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"22122","DOI":"10.1039\/C4CP03533J","article-title":"Substrate-controlled band positions in CH3NH3PbI3 perovskite films","volume":"16","author":"Miller","year":"2014","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"155204","DOI":"10.1103\/PhysRevB.89.155204","article-title":"Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers","volume":"89","author":"Brivio","year":"2014","journal-title":"Phys. Rev. B"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"112103","DOI":"10.1063\/1.4943973","article-title":"Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells","volume":"108","author":"Butler","year":"2016","journal-title":"Appl. Phys. Lett."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"2584","DOI":"10.1021\/nl500390f","article-title":"Atomistic origins of high-performance in hybrid halide perovskite solar cells","volume":"14","author":"Frost","year":"2014","journal-title":"Nano Lett."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"1764","DOI":"10.1021\/nl400349b","article-title":"Chemical management for colorful, efficient, and stable inorganic\u2013organic hybrid nanostructured solar cells","volume":"13","author":"Noh","year":"2013","journal-title":"Nano Lett."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1016\/j.mattod.2017.03.021","article-title":"Broadly tunable metal halide perovskites for solid-state light-emission applications","volume":"20","author":"Adjokatse","year":"2017","journal-title":"Mater. Today"},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"8893","DOI":"10.1021\/acs.inorgchem.5b01843","article-title":"CH3NH3SnxPb1\u2013xBr3 Hybrid Perovskite Solid Solution: Synthesis, Structure, and Optical Properties","volume":"54","author":"Mancini","year":"2015","journal-title":"Inorg. Chem."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"15189","DOI":"10.1039\/D1TC04208D","article-title":"Effect of bromine doping on the charge transfer, ion migration and stability of the single crystalline MAPb (BrxI1\u2212x)3 photodetector","volume":"9","author":"Mahapatra","year":"2021","journal-title":"J. Mater. Chem. C"},{"key":"ref_58","doi-asserted-by":"crossref","unstructured":"Bawazir, H.S., Qaid, S.M., Ghaithan, H.M., AlHarbi, K.K., Bin Ajaj, A.F., and Aldwayyan, A.S. (2022). Phase state influence on photoluminescence of MAPb (BrxI1\u2212x)3 perovskites towards optimized photonics applications. Photonics, 10.","DOI":"10.3390\/photonics10010021"},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"9172","DOI":"10.1039\/C6TC03592B","article-title":"Perovskite CH3NH3Pb (BrxI1\u2212x)3 single crystals with controlled composition for fine-tuned bandgap towards optimized optoelectronic applications","volume":"4","author":"Zhang","year":"2016","journal-title":"J. Mater. Chem. C"},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"1800193","DOI":"10.1002\/pssr.201800193","article-title":"Structural and electronic properties of inorganic mixed halide perovskites","volume":"12","author":"Chen","year":"2018","journal-title":"Phys. Status Solidi (RRL) Rapid Res. Lett."},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"886","DOI":"10.1021\/acs.jpcc.0c07983","article-title":"Anion Substitution Effects on the Structural, Electronic, and Optical Properties of Inorganic CsPb (I1\u2212xBrx)3 and CsPb (Br1\u2212xClx)3 Perovskites: Theoretical and Experimental Approaches","volume":"125","author":"Ghaithan","year":"2021","journal-title":"J. Phys. Chem. C"},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"4944","DOI":"10.3390\/ma13214944","article-title":"Structural, electronic, and optical properties of CsPb (Br1\u2212xClx)3 perovskite: First-principles study with PBE\u2013GGA and mBJ\u2013GGA methods","volume":"13","author":"Ghaithan","year":"2020","journal-title":"Materials"},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"e02871","DOI":"10.1002\/adom.202502871","article-title":"Physics-Aware Hybrid Equivariant Graph Neural Networks for Robust Design of Inorganic Perovskite Photodetector","volume":"14","author":"Lei","year":"2026","journal-title":"Adv. Opt. Mater."},{"key":"ref_64","unstructured":"Suchan, K., Just, J., Becker, P., Rehermann, C., Merdasa, A., Mainz, R., Scheblykin, I.G., and Unger, E.L. (2021). Broad distribution of local I\/Br ratio in illuminated mixed halide perovskite films revealed by correlative X-ray diffraction and photoluminescence. arXiv."},{"key":"ref_65","first-page":"39663","article-title":"Modeling and optimization of modified TiO2 with aluminum and magnesium as ETL in MAPbI3 perovskite solar cells: SCAPS 1D frameworks","volume":"9","author":"Usman","year":"2024","journal-title":"ACS Omega"},{"key":"ref_66","doi-asserted-by":"crossref","unstructured":"Moiz, S.A., and Masud, M.I. (2025). Enhancing CaV0.5Fe0.5O3-Based Lead-Free Perovskite Solar Cell Efficiency by over 23% via Transport Layer Engineering. Nanomaterials, 15.","DOI":"10.3390\/nano15211646"},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"157","DOI":"10.2174\/187221208786306289","article-title":"Doped-TiO2: A review","volume":"2","author":"Zaleska","year":"2008","journal-title":"Recent Pat. Eng."},{"key":"ref_68","doi-asserted-by":"crossref","first-page":"111432","DOI":"10.1016\/j.optmat.2021.111432","article-title":"Optimization of lead-free perovskite solar cells in normal-structure with WO3 and water-free PEDOT: PSS composite for hole transport layer by SCAPS-1D simulation","volume":"120","author":"Alipour","year":"2021","journal-title":"Opt. Mater."},{"key":"ref_69","doi-asserted-by":"crossref","first-page":"1","DOI":"10.17485\/ijst\/2017\/v11i10\/110721","article-title":"Simulation and analysis of lead based perovskite solar cell using SCAPS-1D","volume":"10","author":"Mandadapu","year":"2017","journal-title":"Indian J. Sci. Technol."},{"key":"ref_70","doi-asserted-by":"crossref","unstructured":"Moiz, S.A., Alshaikh, M.S., and Alahmadi, A.N. (2023). Simulation design of novel non-fluorine polymers as electron transport layer for lead-free Perovskite solar cells. Polymers, 15.","DOI":"10.20944\/preprints202310.0321.v1"},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"54254","DOI":"10.1109\/ACCESS.2021.3070112","article-title":"Design of a novel lead-free perovskite solar cell for 17.83% efficiency","volume":"9","author":"Moiz","year":"2021","journal-title":"IEEE Access"},{"key":"ref_72","doi-asserted-by":"crossref","first-page":"14396","DOI":"10.1021\/acssuschemeng.4c03475","article-title":"Employing PEDOT: PSS as a hole transport material in regular rudorffite AgBiI4 solar cells for indoor photovoltaics","volume":"12","author":"Lee","year":"2024","journal-title":"ACS Sustain. Chem. Eng."},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1016\/j.electacta.2019.06.134","article-title":"Solution-processed WO3 and water-free PEDOT: PSS composite for hole transport layer in conventional perovskite solar cell","volume":"319","author":"Yi","year":"2019","journal-title":"Electrochim. Acta"},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1080\/14686996.2016.1176512","article-title":"A transparent, solvent-free laminated top electrode for perovskite solar cells","volume":"17","author":"Makha","year":"2016","journal-title":"Sci. Technol. Adv. Mater."},{"key":"ref_75","doi-asserted-by":"crossref","first-page":"1700043","DOI":"10.1002\/admi.201700043","article-title":"Atomic layer deposition enabled perovskite\/PEDOT solar cells in a regular n\u2013i\u2013p architectural design","volume":"4","author":"Koushik","year":"2017","journal-title":"Adv. Mater. Interfaces"},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"1666","DOI":"10.1021\/acs.jpclett.5b00545","article-title":"Employing PEDOT as the p-type charge collection layer in regular organic\u2013inorganic perovskite solar cells","volume":"6","author":"Liu","year":"2015","journal-title":"J. Phys. Chem. Lett."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1016\/j.jechem.2024.01.075","article-title":"Alcohol-dispersed polymer complex as an effective and durable interface modifier for nip perovskite solar cells","volume":"93","author":"Shi","year":"2024","journal-title":"J. Energy Chem."},{"key":"ref_78","doi-asserted-by":"crossref","first-page":"7829","DOI":"10.1021\/acs.nanolett.6b04019","article-title":"Efficient colorful perovskite solar cells using a top polymer electrode simultaneously as spectrally selective antireflection coating","volume":"16","author":"Jiang","year":"2016","journal-title":"Nano Lett."},{"key":"ref_79","doi-asserted-by":"crossref","first-page":"9172","DOI":"10.1021\/acsami.9b01332","article-title":"Mixtures of dopant-free spiro-OMeTAD and water-free PEDOT as a passivating hole contact in perovskite solar cells","volume":"11","author":"Kegelmann","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"ref_80","doi-asserted-by":"crossref","first-page":"3203","DOI":"10.1039\/C6TA10727C","article-title":"Efficient wide band gap double cation\u2013double halide perovskite solar cells","volume":"5","author":"Forgacs","year":"2017","journal-title":"J. Mater. Chem. A"},{"key":"ref_81","doi-asserted-by":"crossref","unstructured":"Moiz, S.A., Alahmadi, A.N., and Alshaikh, M.S. (2025). Design Optimization of Cesium Contents for Mixed Cation MA1\u2212xCsxPbI3-Based Efficient Perovskite Solar Cell. Nanomaterials, 15.","DOI":"10.3390\/nano15141085"},{"key":"ref_82","doi-asserted-by":"crossref","first-page":"1075","DOI":"10.1007\/s10825-023-02038-4","article-title":"Study of bromine substitution on band gap broadening with consequent blue shift in optical properties and efficiency optimization of lead-free CsGeIXBr3\u2212X based perovskite solar cells","volume":"22","author":"Sarkar","year":"2023","journal-title":"J. Comput. Electron."},{"key":"ref_83","doi-asserted-by":"crossref","first-page":"3885","DOI":"10.1063\/1.1521244","article-title":"Recombination and loss analysis in polythiophene based bulk heterojunction photodetectors","volume":"81","author":"Schilinsky","year":"2002","journal-title":"Appl. Phys. Lett."},{"key":"ref_84","doi-asserted-by":"crossref","first-page":"1700183","DOI":"10.1002\/advs.201700183","article-title":"Correlation between electronic defect states distribution and device performance of perovskite solar cells","volume":"4","author":"Landi","year":"2017","journal-title":"Adv. Sci."},{"key":"ref_85","doi-asserted-by":"crossref","first-page":"095304","DOI":"10.1088\/2053-1591\/abb497","article-title":"Solvent induced charge transport mechanism for conducting polymer at higher temperature","volume":"7","author":"Moiz","year":"2020","journal-title":"Mater. Res. Express"},{"key":"ref_86","doi-asserted-by":"crossref","first-page":"702","DOI":"10.1039\/C8EE00124C","article-title":"Iodine chemistry determines the defect tolerance of lead-halide perovskites","volume":"11","author":"Meggiolaro","year":"2018","journal-title":"Energy Environ. Sci."},{"key":"ref_87","doi-asserted-by":"crossref","first-page":"110601","DOI":"10.1016\/j.optmat.2020.110601","article-title":"Effect of defects on high efficient perovskite solar cells","volume":"111","author":"Taheri","year":"2021","journal-title":"Opt. Mater."},{"key":"ref_88","doi-asserted-by":"crossref","first-page":"1901631","DOI":"10.1002\/aenm.201901631","article-title":"On the relation between the open-circuit voltage and quasi-fermi level splitting in efficient perovskite solar cells","volume":"9","author":"Caprioglio","year":"2019","journal-title":"Adv. Energy Mater."},{"key":"ref_89","doi-asserted-by":"crossref","first-page":"1530","DOI":"10.1039\/C7EE00899F","article-title":"Approaching the fill factor Shockley\u2013Queisser limit in stable, dopant-free triple cation perovskite solar cells","volume":"10","author":"Stolterfoht","year":"2017","journal-title":"Energy Environ. Sci."},{"key":"ref_90","doi-asserted-by":"crossref","first-page":"023101","DOI":"10.1063\/5.0239369","article-title":"Characterization and optimization of high-efficiency crystalline silicon solar cells: Impact of recombination in the space charge region and trap-assisted Auger exciton recombination","volume":"137","author":"Kostylyov","year":"2025","journal-title":"J. Appl. Phys."},{"key":"ref_91","first-page":"100044","article-title":"Phase Segregation Mechanism and Suppression in Wide-Bandgap Perovskites toward Efficient and Stable Perovskite\/Silicon Tandem Solar Cells","volume":"3","author":"Zhang","year":"2026","journal-title":"Sustain. Chem. Energy Mater."},{"key":"ref_92","doi-asserted-by":"crossref","unstructured":"Brakkee, R., and Williams, R.M. (2020). Minimizing defect states in lead halide perovskite solar cell materials. Appl. Sci., 10.","DOI":"10.20944\/preprints202003.0375.v1"},{"key":"ref_93","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1016\/0038-1101(82)90203-9","article-title":"A physical model for the dependence of carrier lifetimes on doping density in nondegenerate silicon","volume":"25","author":"Fossum","year":"1982","journal-title":"Solid-State Electron."},{"key":"ref_94","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/j.solener.2003.07.033","article-title":"Measuring and interpreting the lifetime of silicon wafers","volume":"76","author":"Cuevas","year":"2004","journal-title":"Sol. Energy"},{"key":"ref_95","doi-asserted-by":"crossref","first-page":"3962","DOI":"10.1039\/D4CS01231C","article-title":"Decoding recombination dynamics in perovskite solar cells: An in-depth critical review","volume":"54","author":"Adhikari","year":"2025","journal-title":"Chem. Soc. Rev."},{"key":"ref_96","doi-asserted-by":"crossref","unstructured":"Moiz, S.A., Alahmadi, A.N.M., and Aljohani, A.J. (2020). Design of silicon nanowire array for PEDOT: PSS-silicon nanowire-based hybrid solar cell. Energies, 13.","DOI":"10.3390\/en13153797"},{"key":"ref_97","doi-asserted-by":"crossref","first-page":"9370037","DOI":"10.26599\/EMD.2024.9370037","article-title":"Photoinduced phase segregation in wide-bandgap mixed-halide perovskite solar cells","volume":"2","author":"Yu","year":"2024","journal-title":"Energy Mater. Devices"},{"key":"ref_98","doi-asserted-by":"crossref","first-page":"16390","DOI":"10.1021\/acsami.8b01033","article-title":"Temperature variation-induced performance decline of perovskite solar cells","volume":"10","author":"Schwenzer","year":"2018","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"ref_99","doi-asserted-by":"crossref","first-page":"3907","DOI":"10.1109\/TED.2021.3084906","article-title":"Understanding the correlation between temperature dependent performance and trap distribution for nickel oxide based inverted perovskite solar cells","volume":"68","author":"Rana","year":"2021","journal-title":"IEEE Trans. Electron. Devices"},{"key":"ref_100","doi-asserted-by":"crossref","first-page":"179","DOI":"10.18321\/ectj609","article-title":"Orange dye thin film resistive hygrometers","volume":"6","author":"Moiz","year":"2004","journal-title":"Eurasian Chem.-Technol. J."}],"container-title":["Nanomaterials"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2079-4991\/16\/15\/965\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,8]],"date-time":"2026-08-08T04:22:15Z","timestamp":1786162935000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2079-4991\/16\/15\/965"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,8,6]]},"references-count":100,"journal-issue":{"issue":"15","published-online":{"date-parts":[[2026,8]]}},"alternative-id":["nano16150965"],"URL":"https:\/\/doi.org\/10.3390\/nano16150965","relation":{},"ISSN":["2079-4991"],"issn-type":[{"value":"2079-4991","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,8,6]]}}}