Cargando…

Structural and Optical Properties of Solvated PbI(2) in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors

[Image: see text] We employ a fine-tuned theoretical framework, combining ab initio molecular dynamics (AIMD), density functional theory (DFT), and time-dependent (TD) DFT methods, to investigate the interactions and optical properties of the iodoplumbates within the low coordinative γ-butyrolactone...

Descripción completa

Detalles Bibliográficos
Autores principales:	Radicchi, Eros, Kachmar, Ali, Mosconi, Edoardo, Bizzarri, Beatrice, Nunzi, Francesca, De Angelis, Filippo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8009512/ https://www.ncbi.nlm.nih.gov/pubmed/32645264 http://dx.doi.org/10.1021/acs.jpclett.0c01890

Ejemplares similares

Nearly Monodisperse Insulator Cs(4)PbX(6) (X = Cl, Br, I) Nanocrystals, Their Mixed Halide Compositions, and Their Transformation into CsPbX(3) Nanocrystals
por: Akkerman, Quinten A., et al.
Publicado: (2017)

Modeling the Interaction of Coronavirus Membrane Phospholipids with Photocatalitically Active Titanium Dioxide
por: Soriano-Díaz, Iván, et al.
Publicado: (2023)

Combined Computational and Experimental Investigation on the Nature of Hydrated Iodoplumbate Complexes: Insights into the Dual Role of Water in Perovskite Precursor Solutions
por: Radicchi, Eros, et al.
Publicado: (2020)

Connecting the solution chemistry of PbI(2) and MAI: a cyclodextrin-based supramolecular approach to the formation of hybrid halide perovskites
por: Masi, Sofia, et al.
Publicado: (2018)

Relativistic GW calculations on CH(3)NH(3)PbI(3) and CH(3)NH(3)SnI(3) Perovskites for Solar Cell Applications
por: Umari, Paolo, et al.
Publicado: (2014)

Revealing the role of organic cations in hybrid halide perovskite CH(3)NH(3)PbI(3)
por: Motta, Carlo, et al.
Publicado: (2015)

Investigation of the Hydrolysis of Perovskite Organometallic Halide CH(3)NH(3)PbI(3) in Humidity Environment
por: Zhao, Jiangtao, et al.
Publicado: (2016)

Improving Two-Step Prepared CH(3)NH(3)PbI(3) Perovskite Solar Cells by Co-Doping Potassium Halide and Water in PbI(2) Layer
por: Wu, Hsuan-Ta, et al.
Publicado: (2019)

Large polarons in lead halide perovskites
por: Miyata, Kiyoshi, et al.
Publicado: (2017)

Electronic Properties and Carrier Trapping in Bi and Mn Co-doped CsPbCl(3) Perovskite
por: Ricciarelli, Damiano, et al.
Publicado: (2020)

CH(3)NH(3)PbI(3) perovskite single crystals: surface photophysics and their interaction with the environment
por: Grancini, G., et al.
Publicado: (2015)

Designing New Indene-Fullerene Derivatives as Electron-Transporting Materials for Flexible Perovskite Solar Cells
por: Przypis, Lukasz, et al.
Publicado: (2021)

The nature of hydrogen-bonding interaction in the prototypic hybrid halide perovskite, tetragonal CH(3)NH(3)PbI(3)
por: Lee, June Ho, et al.
Publicado: (2016)

Role of an external electric field on hybrid halide perovskite CH(3)NH(3)PbI(3) band gaps
por: Ji, Denghui, et al.
Publicado: (2018)

Energy vs Charge Transfer in Manganese-Doped Lead Halide Perovskites
por: Ricciarelli, Damiano, et al.
Publicado: (2021)

Stability of Tin- versus Lead-Halide Perovskites: Ab Initio Molecular Dynamics Simulations of Perovskite/Water Interfaces
por: Kaiser, Waldemar, et al.
Publicado: (2022)

Fluoride Chemistry in Tin Halide Perovskites
por: Pascual, Jorge, et al.
Publicado: (2021)

Performance data of CH(3)NH(3)PbI(3) inverted planar perovskite solar cells via ammonium halide additives
por: Jahandar, Muhammad, et al.
Publicado: (2019)

Structural and compositional properties of 2D CH(3)NH(3)PbI(3) hybrid halide perovskite: a DFT study
por: Kumavat, Sandip R., et al.
Publicado: (2022)

Relationship between the Annealing Temperature and the Presence of PbI(2) Platelets at the Surfaces of Slot-Die-Coated Triple-Halide Perovskite Thin Films
por: Wargulski, Dan R., et al.
Publicado: (2023)

Pb clustering and PbI(2) nanofragmentation during methylammonium lead iodide perovskite degradation
por: Alberti, Alessandra, et al.
Publicado: (2019)

CH(3)NH(3)PbI(3) perovskites: Ferroelasticity revealed
por: Strelcov, Evgheni, et al.
Publicado: (2017)

Passivation by pyridine-induced PbI(2) in methylammonium lead iodide perovskites
por: Cook, Andre, et al.
Publicado: (2020)

Humidity Sensitivity Behavior of CH(3)NH(3)PbI(3) Perovskite
por: Zhao, Xuefeng, et al.
Publicado: (2022)

Halide Chemistry in Tin Perovskite Optoelectronics: Bottlenecks and Opportunities
por: Lanzetta, Luis, et al.
Publicado: (2022)

Surface Chemistry of Lead Halide Perovskite Colloidal Nanocrystals
por: De Trizio, Luca, et al.
Publicado: (2023)

Benzoyl Halides as Alternative Precursors for the Colloidal Synthesis of Lead-Based Halide Perovskite Nanocrystals
por: Imran, Muhammad, et al.
Publicado: (2018)

Origin of Broad Emission Induced by Rigid Aromatic Ditopic Cations in Low-Dimensional Metal Halide Perovskites
por: Morana, Marta, et al.
Publicado: (2023)

Orientation-Controlled (h0l) PbI(2) Crystallites Using a Novel Pb–Precursor for Facile and Quick Sequential MAPbI(3) Perovskite Deposition
por: Dhamaniya, Bhanu Pratap, et al.
Publicado: (2020)

Synthesis and Characterization of Multiple-Cation Rb(MAFA)PbI(3) Perovskite Single Crystals
por: Kim, Hyojung, et al.
Publicado: (2019)

Broadband emission from zero-dimensional Cs(4)PbI(6) perovskite nanocrystals
por: Bhaumik, Saikat, et al.
Publicado: (2020)

Controllable Introduction of Surface Defects on CH(3)NH(3)PbI(3) Perovskite
por: Wan, Sushu, et al.
Publicado: (2022)

Modulating Crystallization and Defect Passivation by Butyrolactone Molecule for Perovskite Solar Cells
por: Wang, Fengyou, et al.
Publicado: (2023)

Enhanced crystallinity of CH(3)NH(3)PbI(3) by the pre-coordination of PbI(2)–DMSO powders for highly reproducible and efficient planar heterojunction perovskite solar cells
por: Lee, Jiyong, et al.
Publicado: (2018)

Investigation into the Advantages of Pure Perovskite Film without PbI(2) for High Performance Solar Cell
por: Kwon, Uisik, et al.
Publicado: (2016)

Structural Investigations of MA(1–x)DMA(x)PbI(3) Mixed-Cation Perovskites
por: Franssen, Wouter M. J., et al.
Publicado: (2020)

Two-Dimensional Perovskite (PEA)(2)PbI(4) Two-Color Blue-Green Photodetector
por: Dou, Wei, et al.
Publicado: (2022)

Exciton–phonon coupling in two-dimensional layered (BA)(2)PbI(4) perovskite microplates
por: Wang, Yixiong, et al.
Publicado: (2023)

Charge Carriers Are Not Affected by the Relatively Slow-Rotating Methylammonium Cations in Lead Halide Perovskite Thin Films
por: Caselli, Valentina M., et al.
Publicado: (2019)

Halide Perovskites
por: Sum, Tze-Chien
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_mts2hclkessf5ie1e2ju3tiblo