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RESEARCH PAPER · Wiley Interdisciplinary Reviews Computational Molecular Science · 2023

A review on computational modeling of instability and degradation issues of halide perovskite photovoltaic materials

Pranjul Bhatt, Ayush Kumar Pandey, Ashutosh Rajput, Kshitij Kumar Sharma, Sk Abdul Moyez, Abhishek Tewari

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A review on computational modeling of instability and degradation issues of halide perovskite photovoltaic materialsOriginalCritical role of 1D materials in realizing efficient and stable perovskite solar cells36Tuning Film Stresses for Open-Air Processing of Stable Metal Halide Perovskites16Advances in materials informatics: a review42Understanding Defect-Mediated Ion Migration in Semiconductors using Atomistic Simulations and Machine Learning37Lead-free perovskite Cs3Sb2Cl3I6 via additive engineering for enhancing output performance of optoelectronic and triboelectric coupled nanogenerator17Ammonium formate-engineered MA-free perovskite inks for solar cells and optoelectronic devices2Unveiling the Impact of Bi3+ Heterovalent Doping on the Negative Capacitance and Ionic Conductivity of Perovskite Single Crystals: Implication in Neuromorphic Computing12Synergistic Integration of Halide Perovskite and Rare‐Earth Ions toward Photonics55Amorphous Silica Interlayer Unlocks Direct Epitaxial Growth of CsPbBr3 on Silicon via Slip-and-Stick Mechanism3Probing Structural Distortions and Ionic Migration in CH3NH3PbI3: The Role of Intrinsic Defects3Correction to “Amorphous Silica Interlayer Unlocks Direct Epitaxial Growth of CsPbBr3 on Silicon via Slip-and-Stick Mechanism”2Cutting-edge DFT-driven design of end-capped acceptor-modified hole transporters: Unraveling next-generation optoelectronic properties for high-performance perovskite photovoltaics3Progress and perspectives on accelerated degradation modeling of perovskite solar cells8Genetic Algorithm-Based Hybrid Deep Learning Framework for Stability Prediction of ABO3 Perovskites in Solar Cell Applications8Multiscale Coupling Between Macroscopic Mechanics and Atomic Assembly (MM–AA) of Soft‐Lattice Halide Perovskites6Machine learning interatomic potential enables interface-level insights into cathode/solid electrolyte adhesion in sodium-ion batteries4Deconstructing the dynamic loop of phase segregation in mixed-halide perovskites0Computational analysis of enhanced stability of lead-based perovskite solar cell utilising advanced inter-layers of graphitic carbon nitride and zirconia0Ionic liquids and covalent organic frameworks for interface engineering in perovskite solar cells0Research progress on the preparation and polarization properties of one-dimensional lead halide perovskite nanowires0Role of A-site cation dynamics in anisotropic deformation of orthorhombic MAPbI₃: A molecular dynamics study0Engineering stability in metal halide perovskites: From fundamental strategies to high-performance sensing applications0Diffusivity of colloidal perovskite CsPbI3 quantum dots studied by fluorescence recovery and fluorescence correlation techniques0A systematic review of AI assisted SCAPS 1D modeling for hydrophilic degradation analysis and efficiency retention in perovskite solar cells0

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24 direct citing papers saved.

  1. Critical role of 1D materials in realizing efficient and stable perovskite solar cells

    Journal of Materials Chemistry A · 2023-01-01

    Yu Chen, Baibai Liu, Qian Zhou, Danqing Ma, Han Xiao, Dongmei He, Shi Chen, Yuelong Li, Shirong Lu, Zong‐Xiang Xu, Cong Chen, Hua Yu, Jiangzhao Chen

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  2. Tuning Film Stresses for Open-Air Processing of Stable Metal Halide Perovskites

    ACS Applied Materials & Interfaces · 2023-10-30

    Muneeza Ahmad, Carsen Cartledge, Gabriel R. McAndrews, Antonella Giuri, Michael David McGehee, Aurora Rizzo, Nicholas Rolston

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  3. Advances in materials informatics: a review

    Journal of Materials Science · 2024-02-01

    Dawn Sivan, K. Satheesh Kumar, Aziman Abdullah, Veena Raj, Izan Izwan Misnon, Seeram Ramakrishna, Rajan Jose

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  4. Understanding Defect-Mediated Ion Migration in Semiconductors using Atomistic Simulations and Machine Learning

    ACS Materials Au · 2024-10-25

    Md. Habibur Rahman, Maitreyo Biswas, Arun Mannodi‐Kanakkithodi

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  5. Lead-free perovskite Cs3Sb2Cl3I6 via additive engineering for enhancing output performance of optoelectronic and triboelectric coupled nanogenerator

    Nano Energy · 2024-11-06

    Ling Ding, Zhan Wei, Xiaoyan Zeng, Kan Fang, Gui‐Gen Wang

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  6. Ammonium formate-engineered MA-free perovskite inks for solar cells and optoelectronic devices

    Sustainable Energy & Fuels · 2025-01-01

    Reza Ghayoor, Fatemeh Ghasemi, Leyla Shooshtari, Fariba Tajabadi, Raheleh Mohammadpour, Nima Taghavinia

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  7. Unveiling the Impact of Bi3+ Heterovalent Doping on the Negative Capacitance and Ionic Conductivity of Perovskite Single Crystals: Implication in Neuromorphic Computing

    ACS Applied Materials & Interfaces · 2025-01-01

    Farha Naaz Mansoorie, Pranjul Bhatt, Abhishek Tewari, Ramesh Kumar, Monojit Bag

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  8. Synergistic Integration of Halide Perovskite and Rare‐Earth Ions toward Photonics

    Advanced Materials · 2025-02-13

    Jiayu Sun, Hongyang Fu, Haitong Jing, Xin Hu, Daqin Chen, Fushan Li, Yang Liu, Xian Qin, Wei Huang

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  9. Amorphous Silica Interlayer Unlocks Direct Epitaxial Growth of CsPbBr3 on Silicon via Slip-and-Stick Mechanism

    The Journal of Physical Chemistry Letters · 2025-02-26

    Christian Tantardini, Simone Argiolas, Paola De Padova, Boris I. Yakobson, Aldo Di Carlo, Alessandro Mattoni

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  10. Probing Structural Distortions and Ionic Migration in CH3NH3PbI3: The Role of Intrinsic Defects

    The Journal of Physical Chemistry C · 2025-04-14

    Pranjul Bhatt, Susmita Jana, Abhishek Tewari

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  11. Correction to “Amorphous Silica Interlayer Unlocks Direct Epitaxial Growth of CsPbBr3 on Silicon via Slip-and-Stick Mechanism”

    The Journal of Physical Chemistry Letters · 2025-05-19

    Christian Tantardini, Simone Argiolas, Paola De Padova, Boris I. Yakobson, Aldo Di Carlo, Alessandro Mattoni

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  12. Cutting-edge DFT-driven design of end-capped acceptor-modified hole transporters: Unraveling next-generation optoelectronic properties for high-performance perovskite photovoltaics

    Computational and Theoretical Chemistry · 2025-07-01

    Sidra Manzoor, Sajjad Ali, Rasheed Ahmad Khera, Ruba Munir, Saima Noreen

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  13. Progress and perspectives on accelerated degradation modeling of perovskite solar cells

    Renewable and Sustainable Energy Reviews · 2025-08-08

    Anand Pandey, Ankush Bag

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  14. Genetic Algorithm-Based Hybrid Deep Learning Framework for Stability Prediction of ABO3 Perovskites in Solar Cell Applications

    Energies · 2025-09-23

    Samad Wali, Muhammad Irfan Khan, Miao Zhang, Abdul Shakoor

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  15. Multiscale Coupling Between Macroscopic Mechanics and Atomic Assembly (MM–AA) of Soft‐Lattice Halide Perovskites

    Aggregate · 2025-09-26

    Xiangzhe Li, Lizhi Ren, Xiaojia Zheng, Bed Poudel, Kai Wang, Jin Qian

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  16. Machine learning interatomic potential enables interface-level insights into cathode/solid electrolyte adhesion in sodium-ion batteries

    Journal of Energy Storage · 2026-02-27

    Woojin Shin, Kyoungmin Min

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  17. Deconstructing the dynamic loop of phase segregation in mixed-halide perovskites

    Applied Physics Reviews · 2026-04-17

    Altaf Pasha, Lakshmi Vineela, R. Geetha Balakrishna

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  18. Computational analysis of enhanced stability of lead-based perovskite solar cell utilising advanced inter-layers of graphitic carbon nitride and zirconia

    Journal of Physics and Chemistry of Solids · 2026-05-29

    Benjamin K. Korir, Vincent Onserio Nyamori, Joshua Kiprotich Kibet

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  19. Ionic liquids and covalent organic frameworks for interface engineering in perovskite solar cells

    Solar Energy · 2026-06-10

    Sadegh Kaviani, A. V. Asatryan

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  20. Research progress on the preparation and polarization properties of one-dimensional lead halide perovskite nanowires

    Nanotechnology · 2026-08-03

    Qian Yihan Qian, Lu He, Qiqi Shan, Rongqiu Lv, Xianliang Huang, Jun Chen, Haibo Zeng

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  21. Role of A-site cation dynamics in anisotropic deformation of orthorhombic MAPbI₃: A molecular dynamics study

    Computational Materials Science · 2026-08-27

    Pranjul Bhatt, Abhishek Tewari

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  22. Engineering stability in metal halide perovskites: From fundamental strategies to high-performance sensing applications

    TrAC Trends in Analytical Chemistry · 2026-08-31

    Xiaochun Hu, Huilin Li, Mengmeng Gao, Yibo Song, Shijie Li, Mingfei Pan, Shuo Wang

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  23. Diffusivity of colloidal perovskite CsPbI3 quantum dots studied by fluorescence recovery and fluorescence correlation techniques

    Optical Materials · 2026-09-25

    L.N. Borodina, Danila A. Tatarinov, Igor V. Margaryan, Kirill I. Annas, Ivan N. Kuznetsov, Aleksandr Barulin, Vladimir N. Borisov, А. В. Вениаминов

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  24. A systematic review of AI assisted SCAPS 1D modeling for hydrophilic degradation analysis and efficiency retention in perovskite solar cells

    Discover Electronics · 2026-09-27

    Twinkle Gupta, Ankur Bhardwaj, Ajay Kumar

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