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RESEARCH PAPER · Nanoscale · 2023

Interfacial engineering to modulate surface dipoles, work functions and dielectric confinement of halide perovskites

Pooja Basera, Boubacar Traoré, Jacky Even, Claudine Katan

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Interfacial engineering to modulate surface dipoles, work functions and dielectric confinement of halide perovskitesOriginalOptimization of fluorinated interfacial layers with minimal surface coverage for hybrid perovskite materials3Oriented Assembly of Lead Halide Perovskite Nanocrystals17Anion Binding Interaction Enhances the Robustness of Iodide for High-Performance Perovskite Solar Cells7Ligand Driven Control and F‐Doping of Surface Characteristics in FASnI3 Lead‐Free Perovskites: Relation Between Molecular Dipoles, Surface Dipoles, Work Function Shifts, and Surface Strain4Oxidizing Role of Cu Cocatalysts in Unassisted Photocatalytic CO2 Reduction Using p-GaN/Al2O3/Au/Cu Heterostructures13Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates6Bidentate Lewis Base Ligand-Mediated Surface Stabilization and Modulation of the Electronic Structure of CsPbBr3 Perovskite Nanocrystals33Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures4Ligand-Mediated, Temperature-Tuned Synthesis of CsPbBr3 Nanosheets for Ordered Superlattice Assembly3Reference Depolarization Values for Polar-Organic Aggregates0The role of interface engineering in boosting efficiency and stability of perovskite solar cells: a review9Investigation of Cu-doped multi-cation perovskite oxides for high-temperature water splitting: a combined experimental and theoretical study0Red-light-driven photo(electro)catalysis in perovskite nanocrystal@donor–chromophore–acceptor hybrids through nonlinear exciton generation0Spinel-structured tetragonal Mn3O4 nanocrystals as promising electrode for aqueous ammonium-ion storage2Dipole interface engineering in perovskite solar cells: Mechanisms, design, and application advances4Synergistic defect passivation and energy band reconstruction via LiH 2 PO 4 additive for efficient inverted perovskite solar cells0Interfacial properties of imidazolium-based ionic liquids on MAPbI 3 perovskite: a molecular dynamics study0Laser-assisted growth of ligand-free nanocrystals for grain-boundary passivation and suppression of non-radiative defects in lead-free Cs3Sb2I9 solar cells0Precursor coordination governs defect evolution and nonradiative recombination in wide-bandgap perovskites for monolithic tandem solar cells2Potassium citrate-mediated buried interface passivation enhances the photoelectrical properties of all-inorganic CsPbIBr2 perovskite solar cells0Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structures0APTS-SiO2 enabled field-induced rapid assembly in low-loading suspensions1Mitigating Residual FAI for Air‐Stable FAPbI 3 LEDs0Role of local disorder in surface properties of inorganic halide perovskites0Strategies for mitigating surface and interface defects in CIGS/perovskite tandem solar cells: a comprehensive review0Versatile Soluble Iron Oxide‐Based Monolayers With Ultrahigh Two‐Dimensional State Stability0Wavelength-Switchable Surface Photovoltage Polarity in Quasi-2D Perovskite Heterojunctions Mediated by Exciton Confinement0Conformal oxides decouple chemical stability and energetics at NiO x /perovskite interfaces0

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  1. Optimization of fluorinated interfacial layers with minimal surface coverage for hybrid perovskite materials

    Journal of Materials Chemistry C · 2023-01-01

    Riva Alkarsifi, Thierry Buffeteau, Christine Labrugère, Lionel Hirsch, Dario Maria Bassani, Thierry Toupance

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  2. Oriented Assembly of Lead Halide Perovskite Nanocrystals

    Nano Letters · 2024-03-05

    Lili Liu, Kyle T. Kluherz, Biao Jin, Daniel R. Gamelin, James J. De Yoreo, Maria L. Sushko

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  3. Anion Binding Interaction Enhances the Robustness of Iodide for High-Performance Perovskite Solar Cells

    ACS Applied Materials & Interfaces · 2024-05-07

    Qi Huang, Qiangqiang Zhao, Bingqian Zhang, Xiaofan Du, Dachang Liu, Hongpei Ji, Caiyun Gao, Xiuhong Sun, Yijin Wei, Zhipeng Shao, Jianxu Ding, Xiao Wang, Guanglei Cui, Shuping Pang

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  4. Ligand Driven Control and F‐Doping of Surface Characteristics in FASnI3 Lead‐Free Perovskites: Relation Between Molecular Dipoles, Surface Dipoles, Work Function Shifts, and Surface Strain

    Advanced Materials Interfaces · 2024-06-18

    Pooja Basera, Boubacar Traoré, Pingping Jiang, Laurent Pédesseau, Mikaël Képénékian, Jacky Even, Claudine Katan

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  5. Oxidizing Role of Cu Cocatalysts in Unassisted Photocatalytic CO2 Reduction Using p-GaN/Al2O3/Au/Cu Heterostructures

    ACS Nano · 2024-07-22

    Marija R. Zorić, Pooja Basera, Levi D. Palmer, Aisulu Aitbekova, Natalia E. Powers‐Riggs, Hyeongtaek Lim, Wenhui Hu, Angel T. Garcia‐Esparza, Hori Pada Sarker, Frank Abild‐Pedersen, Harry Albert Atwater, Scott K. Cushing, Michal Bajdich, Amy A. Cordones

    Read original paper ↗ ·

  6. Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates

    Nanomaterials · 2024-11-05

    Li Hong Chen, David Bodesheim, Ahmad Ranjbar, Arezoo Dianat, Robert Biele, Rafael Gutiérrez, Mohammad Khazaei, Gianaurelio Cuniberti

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  7. Bidentate Lewis Base Ligand-Mediated Surface Stabilization and Modulation of the Electronic Structure of CsPbBr3 Perovskite Nanocrystals

    Journal of the American Chemical Society · 2024-12-20

    Md. Samim Hassan, Pooja Basera, Bilawal Khan, A.S. Portnyagin, Kunnathodi Vighnesh, Ye Wu, Daniil A. Rusanov, Maria V. Babak, Jr‐Hau He, Michal Bajdich, Andrey L. Rogach

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  8. Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures

    Physical Review Materials · 2025-02-21

    Junke Jiang, Tammo van der Heide, Simon Thébaud, Carlos R. Lien-Medrano, Arnaud Fihey, Laurent Pédesseau, Claudio Quarti, Marios Zacharias, George Volonakis, Mikaël Képénékian, Bálint Aradi, Michael A. Sentef, Jacky Even, Claudine Katan

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  9. Ligand-Mediated, Temperature-Tuned Synthesis of CsPbBr3 Nanosheets for Ordered Superlattice Assembly

    Materials · 2025-10-24

    Zahir Abdalla, Chengqi Liu, Shefiu Kareem, Xiaoqian Wang, Zisheng Tang, Yong Liu

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  10. Reference Depolarization Values for Polar-Organic Aggregates

    Journal of Chemical Theory and Computation · 2025-10-27

    Gabriela Herrero-Saboya, Matic Poberžnik, Nicolas Salles, Layla Martin‐Samos

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  11. The role of interface engineering in boosting efficiency and stability of perovskite solar cells: a review

    ISSS Journal of Micro and Smart Systems · 2025-11-01

    Bidisha Nath, Praveen Chandrasekharpura Ramamurthy, Gopalkrishna Hegde

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  12. Investigation of Cu-doped multi-cation perovskite oxides for high-temperature water splitting: a combined experimental and theoretical study

    Journal of Materials Chemistry A · 2026-01-01

    Macmillan Chanda, Abdelali El Omrani, Younes Ait Bella, Houda Karibe, Abdessamad Faik, Hanane Ait Ousaleh

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  13. Red-light-driven photo(electro)catalysis in perovskite nanocrystal@donor–chromophore–acceptor hybrids through nonlinear exciton generation

    Nanoscale · 2026-01-01

    Supratim Chatterjee, Joseph F. Ricardo-Noordberg, Adrien Donatini, Victoria Lapointe, Marek B. Majewski

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  14. Spinel-structured tetragonal Mn3O4 nanocrystals as promising electrode for aqueous ammonium-ion storage

    Energy storage materials · 2026-03-01

    Abhishek Kulkarni, Ankit Dandriyal, Shubham V. Patil, Niroshan Manoharan, Digambar S. Sawant, Mahesh Yashavant Chougale, Gaurav Lohar, Jennifer M. Macleod, Prashant Murlidhar Sonar, Deepak Prakash Dubal

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  15. Dipole interface engineering in perovskite solar cells: Mechanisms, design, and application advances

    Sustainable Chemistry for Energy Materials · 2026-03-02

    Deng Wang, Wenjing Li, Huiyi Tan, Yuanshan Hong, Yongchun Li, Shuwen Xue, Qinghua Li

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  16. Synergistic defect passivation and energy band reconstruction via LiH 2 PO 4 additive for efficient inverted perovskite solar cells

    Nanotechnology · 2026-04-16

    Xiang Hong, Xinqian Xie, C.M. Li, Haiyan Li, Songwang Yang

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  17. Interfacial properties of imidazolium-based ionic liquids on MAPbI 3 perovskite: a molecular dynamics study

    Journal of Physics D Applied Physics · 2026-05-11

    Vanessa Torres, Marcelo Albuquerque, R.J. Caraballo-Vivas, Luciano Tavares da Costa, Pedro Paulo de Mello Venezuela

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  18. Laser-assisted growth of ligand-free nanocrystals for grain-boundary passivation and suppression of non-radiative defects in lead-free Cs3Sb2I9 solar cells

    Chemical Engineering Journal · 2026-06-02

    Wenbin Lin, Yuhua Jin, Cai Yan, Ke Sun, Yu Cao, Aumber Abbas, Ali Hassan

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  19. Precursor coordination governs defect evolution and nonradiative recombination in wide-bandgap perovskites for monolithic tandem solar cells

    Materials Science and Engineering R Reports · 2026-06-25

    Biniyam Zemene Taye, Jun Zhu, Zhou Liu, Tongjun Zheng, Shizi Luo, Daxiong Liu, Xiang Deng, Zhibo Zhao, Zhuoneng Bi, Jing Zhou, Xueling Zhang, Yifeng Chen, Haider Ali Tauqeer, Liyao Xiong, Noor Zaman, Muhammad Salman Yousaf, Abdul Basit, Emmanuel Okoampah, Weihao Ye, Wenliang Wang, Lavrenty Gennady Gutsev, Andrey S. Vasenko, Oleg V. Prezhdo, G. L. Gutsev, Chen Xiaoli, Xueqing Xu

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  20. Potassium citrate-mediated buried interface passivation enhances the photoelectrical properties of all-inorganic CsPbIBr2 perovskite solar cells

    Surfaces and Interfaces · 2026-07-07

    Junfeng Lin, Y Z Cheng, Zhicong Yang, Z ZHANG, Hongyang Yu, Xubing Lu, Xingsen Gao, Jun‐Ming Liu, Sujuan Wu

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  21. Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structures

    The Journal of Chemical Physics · 2026-07-13

    Junke Jiang, Tammo van der Heide, Simon Thébaud, Carlos R. Lien-Medrano, Arnaud Fihey, Laurent Pédesseau, Claudio Quarti, Marios Zacharias, George Volonakis, Mikaël Képénékian, Bálint Aradi, Michael A. Sentef, Jacky Even, Claudine Katan

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  22. APTS-SiO2 enabled field-induced rapid assembly in low-loading suspensions

    Applied Surface Science · 2026-08-17

    M. Humaun Kabir, Darrius Dias, Jacob Bons, Md Wasek Foysal, Hong Yu Liang

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  23. Mitigating Residual FAI for Air‐Stable FAPbI 3 LEDs

    Small · 2026-08-20

    Spyros Orfanoudakis, Konstantina Yannakopoulou, Julia Morát, Leonidas Tsetseris, Polychronis Tsipas, Stefania Skorda, Alexandros El Sachat, Feng wei Gao, Athanassios G. Kontos, Θωμάς Στεργιόπουλος

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  24. Role of local disorder in surface properties of inorganic halide perovskites

    Physical Review Materials · 2026-09-11

    Jasurbek Gulomov, Guido Roma, Marios Zacharias, Jacky Even, Claudine Katan

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  25. Strategies for mitigating surface and interface defects in CIGS/perovskite tandem solar cells: a comprehensive review

    Nano Convergence · 2026-09-11

    Pravin S. Pawar, Rahul Kumar Yadav, Vishesh Manjunath, Anil Vithal Ghule, Gee Yeong Kim, Jaeyeong Heo

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  26. Versatile Soluble Iron Oxide‐Based Monolayers With Ultrahigh Two‐Dimensional State Stability

    Advanced Materials · 2026-09-17

    Chuying Dai, Ping He, Shengpeng Xia, Haotian Bai, Youquan Liu, Peilin Yang, Bo Guan, Yue Zeng, Yue Liu, Lingxiang Hou, Zike Wang, Xueping Cui, Shu Wang, Jian Yao Zheng

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  27. Wavelength-Switchable Surface Photovoltage Polarity in Quasi-2D Perovskite Heterojunctions Mediated by Exciton Confinement

    ACS Photonics · 2026-09-23

    Long Li, Chengwu Yang, Nan Zheng, Wei-Hsiang Chen, Fan Wu

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  28. Conformal oxides decouple chemical stability and energetics at NiO x /perovskite interfaces

    Science · 2026-09-24

    Chenchao Xie, Shuai You, Melissa Davis, Ross A. Kerner, Kelly Schutt, Ryan A. DeCrescent, Tianran Liu, Manuel A. Rodriguez, Rosemary C. Bramante, Christian Velez, Mirzo Mirzokarimov, Marc Migliozzi, Todd Russell, Adam Lorenz, Benjia Dou, Michael Owen‐Bellini, Axel F. Palmstrom, Duong Nguyen Minh, Michael David McGehee, Joseph J. Berry, Laura T. Schelhas, Kai Zhu, Joseph M. Luther

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