Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals

Water exposure significantly impacts the structure and photoluminescence (PL) of metal halide perovskites. However, humid conditions can enable the in situ synthesis of methylammonium lead bromide (MAPbBr3) perovskite nanocrystals (NCs) within a nickel acetate matrix, achieving PL quantum yields (PL...

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Main Authors: Jaume Noguera‐Gómez, Víctor Sagra‐Rodríguez, Vladimir S. Chirvony, Miriam Minguez‐Avellan, Mahesh Eledath‐Changarath, Juan F. Sánchez‐Royo, Juan P. Martínez‐Pastor, Pablo P. Boix, Rafael Abargues
Format: Article
Language:English
Published: Wiley-VCH 2025-05-01
Series:Small Science
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Online Access:https://doi.org/10.1002/smsc.202400529
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author Jaume Noguera‐Gómez
Víctor Sagra‐Rodríguez
Vladimir S. Chirvony
Miriam Minguez‐Avellan
Mahesh Eledath‐Changarath
Juan F. Sánchez‐Royo
Juan P. Martínez‐Pastor
Pablo P. Boix
Rafael Abargues
author_facet Jaume Noguera‐Gómez
Víctor Sagra‐Rodríguez
Vladimir S. Chirvony
Miriam Minguez‐Avellan
Mahesh Eledath‐Changarath
Juan F. Sánchez‐Royo
Juan P. Martínez‐Pastor
Pablo P. Boix
Rafael Abargues
author_sort Jaume Noguera‐Gómez
collection DOAJ
description Water exposure significantly impacts the structure and photoluminescence (PL) of metal halide perovskites. However, humid conditions can enable the in situ synthesis of methylammonium lead bromide (MAPbBr3) perovskite nanocrystals (NCs) within a nickel acetate matrix, achieving PL quantum yields (PLQY) of up to 80%. The water‐driven formation and transformation of MAPbBr3 is presented, highlighting the crucial role of acetate. Comprehensive optical and structural analyses reveal that low relative humidity (RH < 20%) favors the formation of non‐emissive MA4PbBr6 (0D) and hydroxide species (PbBrOH, OH−) . Exposure to higher RH induces a structural reorganization from 0D MA4PbBr6 to 3D MAPbBr3 via a MABr‐stripping mechanism, forming NCs with enhanced PLQY. Removing ambient humidity quenches PL, a process that is reversible due to hydroxide‐mediated reactions controlled by dual acid‐base nature of the acetic acid/acetate system. Unlike previous reports, the findings reveal that hydroxide ions reversibly bind to NCs, passivating traps and improving stability. Acetate's basicity plays a critical role in generating OH−, promoting the passivation, stability, and enhanced optical properties of the perovskite nanocomposites.
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spelling doaj-art-99c646a2f58a4dab940f4a05ab7edd4c2025-08-20T01:47:33ZengWiley-VCHSmall Science2688-40462025-05-0155n/an/a10.1002/smsc.202400529Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite NanocrystalsJaume Noguera‐Gómez0Víctor Sagra‐Rodríguez1Vladimir S. Chirvony2Miriam Minguez‐Avellan3Mahesh Eledath‐Changarath4Juan F. Sánchez‐Royo5Juan P. Martínez‐Pastor6Pablo P. Boix7Rafael Abargues8Instituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainInstituto de Tecnología Química Universitat Politècnica València‐Consejo Superior de Investigaciones Científicas Av. dels Tarongers 46022 València SpainInstituto de Ciencia de los Materiales de la Universidad de Valencia (ICMUV) 46980 Paterna València SpainWater exposure significantly impacts the structure and photoluminescence (PL) of metal halide perovskites. However, humid conditions can enable the in situ synthesis of methylammonium lead bromide (MAPbBr3) perovskite nanocrystals (NCs) within a nickel acetate matrix, achieving PL quantum yields (PLQY) of up to 80%. The water‐driven formation and transformation of MAPbBr3 is presented, highlighting the crucial role of acetate. Comprehensive optical and structural analyses reveal that low relative humidity (RH < 20%) favors the formation of non‐emissive MA4PbBr6 (0D) and hydroxide species (PbBrOH, OH−) . Exposure to higher RH induces a structural reorganization from 0D MA4PbBr6 to 3D MAPbBr3 via a MABr‐stripping mechanism, forming NCs with enhanced PLQY. Removing ambient humidity quenches PL, a process that is reversible due to hydroxide‐mediated reactions controlled by dual acid‐base nature of the acetic acid/acetate system. Unlike previous reports, the findings reveal that hydroxide ions reversibly bind to NCs, passivating traps and improving stability. Acetate's basicity plays a critical role in generating OH−, promoting the passivation, stability, and enhanced optical properties of the perovskite nanocomposites.https://doi.org/10.1002/smsc.202400529emissionnanocompositenanocrystalsperovskite
spellingShingle Jaume Noguera‐Gómez
Víctor Sagra‐Rodríguez
Vladimir S. Chirvony
Miriam Minguez‐Avellan
Mahesh Eledath‐Changarath
Juan F. Sánchez‐Royo
Juan P. Martínez‐Pastor
Pablo P. Boix
Rafael Abargues
Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals
Small Science
emission
nanocomposite
nanocrystals
perovskite
title Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals
title_full Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals
title_fullStr Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals
title_full_unstemmed Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals
title_short Passivation Mechanism in Highly Luminescent Nanocomposite‐Based CH3NH3PbBr3 Perovskite Nanocrystals
title_sort passivation mechanism in highly luminescent nanocomposite based ch3nh3pbbr3 perovskite nanocrystals
topic emission
nanocomposite
nanocrystals
perovskite
url https://doi.org/10.1002/smsc.202400529
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