Next-generation solar absorber candidate Rb2PdTe2: a study based on DFT, SCAPS-1D, and machine learning approaches
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Chalcogenide Semiconductor Thin Films · Advanced Thermoelectric Materials and Devices · 2D Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (100+)
Show source-provided references
1. Mansouri S, Dehimi L, Bencherif H et al (2024) Theoretical simulation on enhancing the thin-film copper zinc tin sulfide solar cell performance using MoS2, MoOx, and CuI as efficient hole transport layers. Energy Fuels 38:8187–8198. https://doi.org/10.1021/acs.energyfuels.4c0020010.1021/acs.energyfuels.4c00200 ↗
2. Hajjiah A, Hajiah A, Khalid Hossain M, Gorji NE (2024) Modeling the impact of grain size on device characteristics of Sb2Se3 solar cells. Mater Sci Eng B 303:117319. https://doi.org/10.1016/j.mseb.2024.11731910.1016/j.mseb.2024.117319 ↗
3. Alshammari DA, Abd El-Gawad HH, Abdullah M et al (2024) CuTe supported on graphitic carbon nitride nanocomposite as an effective electrocatalyst for oxidation of water in basic media. J Electroanal Chem 953:118018. https://doi.org/10.1016/j.jelechem.2023.11801810.1016/j.jelechem.2023.118018 ↗
4. Manzoor S, Alharbi FF, Al-Sehemi AG et al (2023) Facile synthesis of CeSe2@CNs nanostructure for enhanced water oxidation. Mater Chem Phys 301:127529. https://doi.org/10.1016/j.matchemphys.2023.12752910.1016/j.matchemphys.2023.127529 ↗
5. Hussein MM, Saafan SA, Abosheiasha HF et al (2023) Structural and dielectric characterization of synthesized nano-BSTO/PVDF composites for smart sensor applications. Mater Adv 4:5605–5617. https://doi.org/10.1039/D3MA00437F10.1039/D3MA00437F ↗
6. Xia J, Jin J, Zheng D et al (2024) NiSe2-CoSe2 hollow polyhedron as counter electrode catalyst for high-efficiency dye-sensitized solar cells. Appl Surf Sci 651:159176. https://doi.org/10.1016/j.apsusc.2023.15917610.1016/j.apsusc.2023.159176 ↗
7. Yang Y, Cheng S, Zhu X, Li S, Zheng Z, Zhao K, Wang Z (2024) Inverted perovskite solar cells with over 2,000 h operational stability at 85° C using fixed charge passivation. Nat Energy 9(1):37–4610.1038/s41560-023-01377-7 ↗
8. Ahn N, Choi M (2024) Towards long-term stable perovskite solar cells: degradation mechanisms and stabilization techniques. Adv Sci 11:2306110. https://doi.org/10.1002/advs.20230611010.1002/advs.202306110 ↗
9. Trukhanov SV, Bodnar IV, Zhafar MA (2015) Magnetic and electrical properties of (FeIn2S4)1–x(CuIn5S8)x solid solutions. J Magn Magn Mater 379:22–27. https://doi.org/10.1016/j.jmmm.2014.10.12010.1016/j.jmmm.2014.10.120 ↗
10. Saikia D, Betal A, Bera J, Sahu S (2022) Progress and challenges of halide perovskite-based solar cell- a brief review. Mater Sci Semicond Process 150:106953. https://doi.org/10.1016/j.mssp.2022.10695310.1016/j.mssp.2022.106953 ↗
11. Park SY, Zhu K (2022) Advances in SnO2 for efficient and stable n–i–p perovskite solar cells. Adv Mater 34:2110438. https://doi.org/10.1002/adma.20211043810.1002/adma.202110438 ↗
12. Zhou Y, Najar A, Zhang J et al (2022) Effect of solvent residue in the thin-film fabrication on perovskite solar cell performance. ACS Appl Mater Interfaces 14:28729–28737. https://doi.org/10.1021/acsami.2c0252510.1021/acsami.2c02525 ↗
13. Imran MA, Fathah AA, Baki AA et al (2023) Integrating IoT and AI For predictive maintenance in smart power grid systems to minimize energy loss and carbon footprint. J Appl Opt 44:27–47
14. Alam K, Hossen MS, Imran MA et al (2023) Designing autonomous carbon reduction mechanisms: a data-driven approach in renewable energy systems. Well Test J 32:103–129
15. Agayev FG, Trukhanov SV, Trukhanov AV, Jabarov SH, Ayyubova GS, Mirzayev MN, Trukhanova EL, Vinnik DA, Kozlovskiy AL, Zdorovets MV, Sombra ASB, Zhou D, Jotania RB, Singh C, Trukhanov AV (2022) Study of structural features and thermal properties of barium hexaferrite upon indium doping. J Therm Anal Calorim 147:14107–14114. https://doi.org/10.1007/s10973-022-11742-510.1007/s10973-022-11742-5 ↗
16. Zubar TI, Fedosyuk VM, Trukhanov SV et al (2020) Method of surface energy investigation by lateral AFM: application to control growth mechanism of nanostructured NiFe films. Sci Rep 10:14411. https://doi.org/10.1038/s41598-020-71416-w10.1038/s41598-020-71416-w ↗
17. Darwish MA, Zubar TI, Kanafyev OD et al (2022) Combined effect of microstructure, surface energy, and adhesion force on the friction of PVA/ferrite spinel nanocomposites. Nanomaterials 12:1998. https://doi.org/10.3390/nano1212199810.3390/nano12121998 ↗
18. Ghosh A, Ferdous Rahman Md, Kuddus A et al (2024) Investigating of novel inorganic cubic perovskites of A3BX3 (A=Ca, Sr, BP, As, X=I, Br) and their photovoltaic performance with efficiency over 28%. J Alloys Compd 986:174097. https://doi.org/10.1016/j.jallcom.2024.17409710.1016/j.jallcom.2024.174097 ↗
19. Metcalf I, Sidhik S, Zhang H et al (2023) Synergy of 3D and 2D perovskites for durable, efficient solar cells and beyond. Chem Rev 123:9565–9652. https://doi.org/10.1021/acs.chemrev.3c0021410.1021/acs.chemrev.3c00214 ↗
20. Mahmud MA, Duong T, Peng J et al (2022) Origin of efficiency and stability enhancement in high-performing mixed dimensional 2D-3D perovskite solar cells: a review. Adv Funct Mater 32:2009164. https://doi.org/10.1002/adfm.20200916410.1002/adfm.202009164 ↗
21. Heidariramsheh M, Mirhosseini M, Abdizadeh K et al (2021) Evaluating Cu2SnS3 nanoparticle layers as hole-transporting materials in perovskite solar cells. ACS Appl Energy Mater 4:5560–5573. https://doi.org/10.1021/acsaem.1c0024410.1021/acsaem.1c00244 ↗
22. Pervaiz H, Khan ZS, Shahzad N, Ahmed N, Jamil Q (2022) Synthesis and characterization of CuInS2 nanostructures and their role in solar cell applications. Mater Chem Phys 290:126602. https://doi.org/10.1016/j.matchemphys.2022.12660210.1016/j.matchemphys.2022.126602 ↗
23. Rahayu SU, Chou C-L, Suriyawong N et al (2016) Sodium antimony sulfide (NaSbS2): turning an unexpected impurity into a promising, environmentally friendly novel solar absorber material. APL Mater 4:116103. https://doi.org/10.1063/1.496720610.1063/1.4967206 ↗
24. Schwartz D, Murshed R, Larson H et al (2020) Air stable, high-efficiency, Pt-based halide perovskite solar cells with long carrier lifetimes. physica status solidi (RRL)–Rapid Res Lett 14:2000182. https://doi.org/10.1002/pssr.20200018210.1002/pssr.202000182 ↗
25. Igbari F, Wang R, Wang Z-K et al (2019) Composition stoichiometry of Cs2AgBiBr6 films for highly efficient lead-free perovskite solar cells. Nano Lett 19:2066–2073. https://doi.org/10.1021/acs.nanolett.9b0023810.1021/acs.nanolett.9b00238 ↗
26. Nwambaekwe K, Yussuf S, Tshobeni Z et al (2025) Cu2PdSnSe4 and Cu2PdSn(S,Se)4 palladium-substituted kesterite nanomaterials for thin-film solar cells. ACS Mater Au 5:469–490. https://doi.org/10.1021/acsmaterialsau.4c0012910.1021/acsmaterialsau.4c00129 ↗
27. Zhou Y, Li M, Wan Y et al (2025) Pd-based chalcogenides for energy conversion electrocatalysis. Nanoscale 17:7639–7650. https://doi.org/10.1039/D4NR05230G10.1039/D4NR05230G ↗
28. Trukhanov AV, Kostishyn VG, Panina LV et al (2018) Control of electromagnetic properties in substituted M-type hexagonal ferrites. J Alloys Compd 754:247–256. https://doi.org/10.1016/j.jallcom.2018.04.15010.1016/j.jallcom.2018.04.150 ↗
29. Guo Y, Zhou D, Li D et al (2023) Improved energy storage performance of sandwich-structured P(VDF-HFP)-based nanocomposites by the addition of inorganic nanoparticles. J Mater Chem C 11:6999–7009. https://doi.org/10.1039/D3TC00979C10.1039/D3TC00979C ↗
30. Hussein MM, Saafan SA, Abosheiasha HF et al (2024) Preparation, structural, magnetic, and AC electrical properties of synthesized CoFe2O4 nanoparticles and its PVDF composites. Mater Chem Phys 317:129041. https://doi.org/10.1016/j.matchemphys.2024.12904110.1016/j.matchemphys.2024.129041 ↗
31. França RP, Borges Monteiro AC, Arthur R, Iano Y (2021) Chapter 3 - An overview of deep learning in big data, image, and signal processing in the modern digital age. In: Piuri V, Raj S, Genovese A, Srivastava R (eds) Trends in deep learning methodologies. Academic Press, pp 63–8710.1016/B978-0-12-822226-3.00003-9 ↗
32. Naeem S, Ali A, Anam S, Ahmed MM (2023) Unsupervised machine learning algorithms: a comprehensive review. Int J Comput Digit Syst 13(1):911–921. https://doi.org/10.12785/ijcds/13017210.12785/ijcds/130172 ↗
33. Elboughdiri N, Sarkar BB, Rahman MA et al (2025) Innovative computational framework for Sr3SbCl3 absorber optimization: DFT, SCAPS-1D, and machine learning perspectives. New J Chem 49:14529–14552. https://doi.org/10.1039/D5NJ01823D10.1039/D5NJ01823D ↗
34. Shrivastav N, Madan J, Hossain MK et al (2024) Investigating inorganic perovskite as absorber materials in perovskite solar cells: machine learning analysis and optimization. Phys Scr 99:035536. https://doi.org/10.1088/1402-4896/ad2a2e10.1088/1402-4896/ad2a2e ↗
35. Tarekuzzaman Md, Utsho KIF, Sarker AS et al (2025) Numerical simulation and machine learning-driven engineering of K2GeI6 perovskite solar cells for high-efficiency and sustainable photovoltaics. ACS Appl Energy Mater 8:15961–15992. https://doi.org/10.1021/acsaem.5c0246110.1021/acsaem.5c02461 ↗
36. Burschka J, Pellet N, Moon S-J et al (2013) Sequential deposition as a route to high-performance perovskite-sensitized solar cells. Nature 499:316–319. https://doi.org/10.1038/nature1234010.1038/nature12340 ↗
37. Chiang Y-F, Jeng J-Y, Lee M-H et al (2014) High voltage and efficient bilayer heterojunction solar cells based on an organic–inorganic hybrid perovskite absorber with a low-cost flexible substrate. Phys Chem Chem Phys 16:6033–6040. https://doi.org/10.1039/C4CP00298A10.1039/C4CP00298A ↗
38. Jayan KD, Sebastian V, Kurian J (2021) Simulation and optimization studies on CsPbI3 based inorganic perovskite solar cells. Sol Energy 221:99–108. https://doi.org/10.1016/j.solener.2021.04.03010.1016/j.solener.2021.04.030 ↗
39. Bencherif H, Dehimi L, Mahsar N et al (2022) Modeling and optimization of CZTS kesterite solar cells using TiO2 as efficient electron transport layer. Mater Sci Eng B 276:115574. https://doi.org/10.1016/j.mseb.2021.11557410.1016/j.mseb.2021.115574 ↗
40. Tarekuzzaman Md, Utsho KIF (2025) Advancing solar energy with Cs2TlAsI6 double halide perovskite: a simulation-driven approach for high-efficiency solar cell. Adv Electron Mater 11:e00312. https://doi.org/10.1002/aelm.20250031210.1002/aelm.202500312 ↗
41. Zhou J, Hou J, Tao X et al (2019) Solution-processed electron transport layer of n-doped fullerene for efficient and stable all carbon based perovskite solar cells. J Mater Chem A 7:7710–7716. https://doi.org/10.1039/C9TA00118B10.1039/C9TA00118B ↗
42. Wang Y, Wan J, Ding J et al (2019) A rutile TiO2 electron transport layer for the enhancement of charge collection for efficient perovskite solar cells. Angew Chem Int Ed 58:9414–9418. https://doi.org/10.1002/anie.20190298410.1002/anie.201902984 ↗
43. Tarekuzzaman M, Ishraq MH, Parves MS et al (2024) An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks. Phys Chem Chem Phys 26:27704–27734. https://doi.org/10.1039/D4CP02974G10.1039/D4CP02974G ↗
44. Hafner J (2008) Ab‐initio simulations of materials using VASP: density‐functional theory and beyond. J Comput Chem 29(13):2044–207810.1002/jcc.21057 ↗
45. Blöchl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953–17979. https://doi.org/10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
46. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59:1758–1775. https://doi.org/10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
47. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868. https://doi.org/10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
48. Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:5188–5192. https://doi.org/10.1103/PhysRevB.13.518810.1103/PhysRevB.13.5188 ↗
49. Fischer TH, Almlof J (1992) General methods for geometry and wave function optimization. J Chem Phys 96:9768–9774. https://doi.org/10.1021/j100203a03610.1021/j100203a036 ↗
50. Togo A, Tanaka I (2015) First principles phonon calculations in materials science. Scr Mater 108:1–5. https://doi.org/10.1016/j.scriptamat.2015.07.02110.1016/j.scriptamat.2015.07.021 ↗
51. Burgelman M, Decock K, Khelifi S, Abass A (2013) Advanced electrical simulation of thin film solar cells. Thin Solid Films 535:296–301. https://doi.org/10.1016/j.tsf.2012.10.03210.1016/j.tsf.2012.10.032 ↗
52. Ashraf MA, Alam I (2020) Numerical simulation of CIGS, CISSe and CZTS-based solar cells with In2S3 as buffer layer and Au as back contact using SCAPS 1D. Eng Res Express 2:035015. https://doi.org/10.1088/2631-8695/abade610.1088/2631-8695/abade6 ↗
53. Jabr RA, Hamad M, Mohanna YM (2007) Newton-Raphson solution of Poisson’s equation in a Pn diode. Int J Electr Eng Educ 44:23–33. https://doi.org/10.7227/IJEEE.44.1.310.7227/IJEEE.44.1.3 ↗
54. Burgelman M, Verschraegen J, Degrave S, Nollet P (2004) Modeling thin-film PV devices. Prog Photovolt Res Appl 12:143–153. https://doi.org/10.1002/pip.52410.1002/pip.524 ↗
55. Kumar G, Ravidas BK, Bhattarai S et al (2023) Exploration of the photovoltaic properties of oxide-based double perovskite Bi2FeCrO6 using an amalgamation of DFT with spin–orbit coupling effect and SCAPS-1D simulation approaches. New J Chem 47:18640–18658. https://doi.org/10.1039/D3NJ02841K10.1039/D3NJ02841K ↗
56. Ishraq MH, Tarekuzzaman Md, Modak JK et al (2024) Investigating novel perovskites of lead-free flexible solar cell CH3NH3BiI3 and their photovoltaic performance with efficiency over 26%. Mater Sci Eng B 308:117622. https://doi.org/10.1016/j.mseb.2024.11762210.1016/j.mseb.2024.117622 ↗
57. Kim T, Lim J, Song S (2020) Recent progress and challenges of electron transport layers in organic–inorganic perovskite solar cells. Energies 13:557210.3390/en13215572 ↗
58. Reza MdS, Rahman MdF, Reza MdS et al (2024) Rubidium based new lead free high performance perovskite solar cells with SnS2 as an electron transport layer. Mater Today Commun 39:108714. https://doi.org/10.1016/j.mtcomm.2024.10871410.1016/j.mtcomm.2024.108714 ↗
59. Gohri S, Madan J, Samajdar DP et al (2024) Achieving 24.6 % efficiency in 2D perovskite solar cells: bandgap tuning and MXene contact optimization in (BDA)(MA)n−1PbnI3n+1 structures. Chem Phys Lett 845:141291. https://doi.org/10.1016/j.cplett.2024.14129110.1016/j.cplett.2024.141291 ↗
60. Zhang Y-N, Li B, Fu L et al (2019) Enhanced optical absorption and efficient cascade electron extraction based on energy band alignment double absorbers perovskite solar cells. Sol Energy Mater Sol Cells 194:168–176. https://doi.org/10.1016/j.solmat.2019.02.01410.1016/j.solmat.2019.02.014 ↗
61. Sinsermsuksakul P, Hartman K, Bok Kim S et al (2013) Enhancing the efficiency of SnS solar cells via band-offset engineering with a zinc oxysulfide buffer layer. Appl Phys Lett 102:053901. https://doi.org/10.1063/1.478985510.1063/1.4789855 ↗
62. Xiao J-W, Ma S, Yu S et al (2018) Ligand engineering on CdTe quantum dots in perovskite solar cells for suppressed hysteresis. Nano Energy 46:45–53. https://doi.org/10.1016/j.nanoen.2018.01.03510.1016/j.nanoen.2018.01.035 ↗
63. Hasan SS, Akter MS, Absar N et al (2025) Density functional theory study of halide double perovskites A2KTlX6 (A = Cs, Rb; X = Cl, Br) for photovoltaic applications. Comput Condens Matter 42:e01014. https://doi.org/10.1016/j.cocom.2025.e0101410.1016/j.cocom.2025.e01014 ↗
64. Nakajima T, Sawada K (2017) Discovery of Pb-free perovskite solar cells via high-throughput simulation on the K computer. J Phys Chem Lett 8:4826–4831. https://doi.org/10.1021/acs.jpclett.7b0220310.1021/acs.jpclett.7b02203 ↗
65. Rahman MdZ, Hasan SS, Hasan MdZ et al (2024) Insight into the physical properties of the chalcogenide XZrS3 (X = Ca, Ba) perovskites: a first-principles computation. J Electron Mater 53:3775–3791. https://doi.org/10.1007/s11664-024-11120-x10.1007/s11664-024-11120-x ↗
66. Feng J, Xiao B (2014) Effective masses and electronic and optical properties of nontoxic MASnX3 (X = Cl, Br, and I) perovskite structures as solar cell absorber: a theoretical study using HSE06. J Phys Chem C 118:19655–19660. https://doi.org/10.1021/jp506498k10.1021/jp506498k ↗
67. Deswal V, Baghel S (2025) Designing and optimization of a highly efficient and new lead-free Cs2RbGaI6 based double perovskite solar cell through SCAPS-1D and machine learning. Inorg Chem Commun 176:114316. https://doi.org/10.1016/j.inoche.2025.11431610.1016/j.inoche.2025.114316 ↗
68. Mahmood Q, Hani U, Al-Muhimeed TI et al (2021) Study of optical and thermoelectric properties of ZYbI3 (Z = Rb, Cs) for solar cells and renewable energy; modelling by density functional theory. J Phys Chem Solids 155:110117. https://doi.org/10.1016/j.jpcs.2021.11011710.1016/j.jpcs.2021.110117 ↗
69. Zhou Y, Long G (2017) Low density of conduction and valence band states contribute to the high open-circuit voltage in perovskite solar cells. J Phys Chem C 121:1455–1462. https://doi.org/10.1021/acs.jpcc.6b1091410.1021/acs.jpcc.6b10914 ↗
70. Ehrenreich H, Cohen MH (1959) Self-consistent field approach to the many-electron problem. Phys Rev 115:786–790. https://doi.org/10.1103/PhysRev.115.78610.1103/PhysRev.115.786 ↗
71. Seidl A, Görling A, Vogl P et al (1996) Generalized Kohn-Sham schemes and the band-gap problem. Phys Rev B 53:3764–3774. https://doi.org/10.1103/PhysRevB.53.376410.1103/PhysRevB.53.3764 ↗
72. Caid M, Rached D, Rached Y, Rached H (2024) Comprehensive exploration of halide double perovskites Cs2BʹGeCl6 (Bʹ: Zn, Cd) for affordable energy technologies: a high-throughput investigation. Opt Quantum Electron 56:980. https://doi.org/10.1007/s11082-024-06721-z10.1007/s11082-024-06721-z ↗
73. Rahman MZ, Hasan SS, Akter MS et al (2024) Computational study of the structural, mechanical, electronic, optical and thermal properties of BaLiX (X =P, As, Sb) perovskites. Phys B Condens Matter 692:416387. https://doi.org/10.1016/j.physb.2024.41638710.1016/j.physb.2024.416387 ↗
74. Penn DR (1962) Wave-number-dependent dielectric function of semiconductors. Phys Rev 128:2093–2097. https://doi.org/10.1103/PhysRev.128.209310.1103/PhysRev.128.2093 ↗
75. Hadi MA, Vovk RV, Chroneos A (2016) Physical properties of the recently discovered Zr2(Al1−xBix)C MAX phases. J Mater Sci Mater Electron 27:11925–11933. https://doi.org/10.1007/s10854-016-5338-z10.1007/s10854-016-5338-z ↗
76. Mera A, Rehman MA, ur Rehman Z (2024) First-principles calculations to investigate the physical properties of lead-free double perovskites Cs2AgXCl6 (X=P, Co, As, Cd) for optoelectronic applications. Chin J Phys 87:268–283. https://doi.org/10.1016/j.cjph.2023.11.00510.1016/j.cjph.2023.11.005 ↗
77. Xie J, Liu F, Yan K (2019) Chapter 5-Perovskite Solar Cells Processed by Solution Nanotechnology. In: Gao F (ed) Advanced nanomaterials for solar cells and light emitting diodes. Elsevier, pp 119–17410.1016/B978-0-12-813647-8.00005-9 ↗
78. Antonov VN, Harmon BN, Yaresko AP (2006) Electronic structure and magneto-optical properties of solids. Springer, Berlin, p 518
79. Liu Z-J, Zhang C-R, Sun X-W et al (2011) Structural, electronic and optical properties of the tetragonal phase of CaSiO3 perovskite under pressure: first-principles calculations. Mod Phys Lett B 25:41–52. https://doi.org/10.1142/S021798491102544410.1142/S0217984911025444 ↗
80. Irfan M, Ahmed EM, Issa SAM, Zakaly HMH (2024) New eco-friendly lead-free double perovskites Rb2FeCdO6 driven semiconducting material for radiation shielding and energy applications: DFT + U based nanoarchitectonics. Opt Quantum Electron 56:1355. https://doi.org/10.1007/s11082-024-07263-010.1007/s11082-024-07263-0 ↗
81. Siad AB, Riane H, Siad MB et al (2024) Elevating energy device potential: exploring optoelectronic and thermoelectric advantages in stable double perovskites K2NaInX6 (X = F, Cl, Br, I) via Ab initio analysis. J Mater Sci 59:1989–2007. https://doi.org/10.1007/s10853-023-09229-110.1007/s10853-023-09229-1 ↗
82. Khan MYH, Hasan SS, Rahman MZ et al (2025) Enhancing perovskite solar cell performance using a BaSnS3 chalcogenide perovskite: a device simulation study. RSC Adv 15:34643–34668. https://doi.org/10.1039/D5RA04940G10.1039/D5RA04940G ↗
83. Troyanchuk IO, Trukhanov SV, Szymczak H, Przewoznik J, Bärner K (2001) Phase transitions in La1− x CaxMnO3− x/2 manganites. J Exp Theor Phys 93(1):161–16710.1134/1.1391533 ↗
84. Salah MM, Abouelatta M, Shaker A, Hassan KM, Saeed A (2019) A comprehensive simulation study of hybrid halide perovskite solar cell with copper oxide as HTM. Semicond Sci Technol 34(11):11500910.1088/1361-6641/ab22e1 ↗
85. Raoui Y, Ez-Zahraouy H, Tahiri N et al (2019) Performance analysis of MAPbI3 based perovskite solar cells employing diverse charge selective contacts: simulation study. Sol Energy 193:948–955. https://doi.org/10.1016/j.solener.2019.10.00910.1016/j.solener.2019.10.009 ↗
86. Sekar K, Marasamy L, Mayarambakam S et al (2023) Lead-free, formamidinium germanium-antimony halide (FA4GeSbCl12) double perovskite solar cells: the effects of band offsets. RSC Adv 13:25483–25496. https://doi.org/10.1039/D3RA03102K10.1039/D3RA03102K ↗
87. Ishraq MH, Kabir MdR, Tarekuzzaman Md et al (2024) ETL and HTL engineering in CH3NH3PbBr3 perovskite for stable and efficient photovoltaic device applications using SCAPS-1D. Adv Theory Simul 7:e2400360. https://doi.org/10.1002/adts.20240036010.1002/adts.202400360 ↗
88. Raoui Y, Ez-Zahraouy H, Kazim S, Ahmad S (2021) Energy level engineering of charge selective contact and halide perovskite by modulating band offset: mechanistic insights. J Energy Chem 54:822–829. https://doi.org/10.1016/j.jechem.2020.06.03010.1016/j.jechem.2020.06.030 ↗
89. Zerarka Selssabil SB (2020) Study of electron transport effect on perovskite solar cells using simulation
90. Gutierrez-Partida E, Rusu M, Zu F et al (2025) Toward understanding the built-in field in perovskite solar cells through layer-by-layer surface photovoltage measurements. ACS Appl Mater Interfaces 17:11176–11186. https://doi.org/10.1021/acsami.4c1419410.1021/acsami.4c14194 ↗
91. Kotadiya NB, Lu H, Mondal A et al (2018) Universal strategy for Ohmic hole injection into organic semiconductors with high ionization energies. Nat Mater 17:329–334. https://doi.org/10.1038/s41563-018-0022-810.1038/s41563-018-0022-8 ↗
92. Peña-Camargo F, Thiesbrummel J, Hempel H et al (2022) Revealing the doping density in perovskite solar cells and its impact on device performance. Appl Phys Rev 9:021409. https://doi.org/10.1063/5.008528610.1063/5.0085286 ↗
93. Bertoluzzi L, Boyd CC, Rolston N et al (2020) Mobile ion concentration measurement and open-access band diagram simulation platform for halide perovskite solar cells. Joule 4:109–127. https://doi.org/10.1016/j.joule.2019.10.00310.1016/j.joule.2019.10.003 ↗
94. Sandberg OJ, Kurpiers J, Stolterfoht M et al (2020) On the question of the need for a built‐in potential in perovskite solar cells. Adv Mater Interfaces 7:2000041. https://doi.org/10.1002/admi.20200004110.1002/admi.202000041 ↗
95. Tareq DE, AbdulAlmohsin SM, Waried HH (2020) Perovskite solar cells based on CH3NH3SnI3 structure. IOP Conf Ser Mater Sci Eng 928:072148. https://doi.org/10.1088/1757-899X/928/7/07214810.1088/1757-899X/928/7/072148 ↗
96. Tarekuzzaman Md, Utsho KIF (2025) Engineering next-generation Rb2SeI6 perovskite solar cells for sustainable energy development. ACS Appl Eng Mater 3:3202–3227. https://doi.org/10.1021/acsaenm.5c0058810.1021/acsaenm.5c00588 ↗
97. Ahmed SRA, Sunny A, Rahman S (2021) Performance enhancement of Sb2Se3 solar cell using a back surface field layer: a numerical simulation approach. Sol Energy Mater Sol Cells 221:110919. https://doi.org/10.1016/j.solmat.2020.11091910.1016/j.solmat.2020.110919 ↗
98. Bag A, Radhakrishnan R, Nekovei R, Jeyakumar R (2020) Effect of absorber layer, hole transport layer thicknesses, and its doping density on the performance of perovskite solar cells by device simulation. Sol Energy 196:177–182. https://doi.org/10.1016/j.solener.2019.12.01410.1016/j.solener.2019.12.014 ↗
99. Liu D, K. Gangishetty M, L. Kelly T (2014) Effect of CH 3 NH 3 PbI 3 thickness on device efficiency in planar heterojunction perovskite solar cells. J Mater Chem A 2:19873–19881. https://doi.org/10.1039/C4TA02637C10.1039/C4TA02637C ↗
100. Tareq DE, AbdulAlmohsin SM, Waried HH (2020) Efficiency of TiO2/Peroviskites/Cu2O solar cells with optimal thickness at varying of environment temperature. IOP Conf Ser Mater Sci Eng 928:072044. https://doi.org/10.1088/1757-899X/928/7/07204410.1088/1757-899X/928/7/072044 ↗