Our list of Publications
2025
de M. Rodrigues, Murillo H.; Neto, Diogo M. Guilhermitti; Barcelos, Ingrid D.; Labre, Cilene; Costa, Carlos Alberto R.; de Souza, João Batista; Sobrinho, Josiane A.; Nogueira, Ana Flávia
The influence of the buried interface on the orientational crystallization and thermal stability of halide perovskite thin films Journal Article
In: J. Mater. Chem. A, vol. 13, iss. 23, pp. 17799-17809, 2025.
Abstract | Links | BibTeX | Tags:
@article{D5TA01772F,
title = {The influence of the buried interface on the orientational crystallization and thermal stability of halide perovskite thin films},
author = {Murillo H. de M. Rodrigues and Diogo M. Guilhermitti Neto and Ingrid D. Barcelos and Cilene Labre and Carlos Alberto R. Costa and João Batista de Souza and Josiane A. Sobrinho and Ana Flávia Nogueira},
url = {http://dx.doi.org/10.1039/D5TA01772F},
doi = {10.1039/D5TA01772F},
year = {2025},
date = {2025-01-01},
urldate = {2025-01-01},
journal = {J. Mater. Chem. A},
volume = {13},
issue = {23},
pages = {17799-17809},
publisher = {The Royal Society of Chemistry},
abstract = {Metal halide perovskites are promising materials for efficient solar energy conversion, holding promise as the next generation of photovoltaics. However, to fully realize the potential of perovskite solar cells (PSCs) and advance the technology towards commercialization, several stability issues still need to be addressed. Numerous approaches have already been explored to improve the stability of PSCs, with oriented crystal growth offering an effective strategy to not only improve stability but also increase device performance due to the photoelectric anisotropy of perovskites. In this work, we systematically monitor the influence of the most common underlayers used in regular and inverted PSCs on the oriented growth of formamidinium–cesium lead iodide (FA0.9Cs0.1PbI3) perovskites. Employing crystallographic, morphological, and spectroscopic characterization techniques, we show that the preferred orientation driven by the underlayers controls perovskite phase segregation under thermal stress, correlating it with the stability of perovskite films and solar cells subjected to 500 h of continuous heating at 85 °C.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Metal halide perovskites are promising materials for efficient solar energy conversion, holding promise as the next generation of photovoltaics. However, to fully realize the potential of perovskite solar cells (PSCs) and advance the technology towards commercialization, several stability issues still need to be addressed. Numerous approaches have already been explored to improve the stability of PSCs, with oriented crystal growth offering an effective strategy to not only improve stability but also increase device performance due to the photoelectric anisotropy of perovskites. In this work, we systematically monitor the influence of the most common underlayers used in regular and inverted PSCs on the oriented growth of formamidinium–cesium lead iodide (FA0.9Cs0.1PbI3) perovskites. Employing crystallographic, morphological, and spectroscopic characterization techniques, we show that the preferred orientation driven by the underlayers controls perovskite phase segregation under thermal stress, correlating it with the stability of perovskite films and solar cells subjected to 500 h of continuous heating at 85 °C.
Rosa, Eduardo H. Santos; Morais, Andreia; Araújo, Francineide Lopes; Zimmermann, Paul; Hinderhofer, Alexander; Freitas, Jilian Nei; Góes, Rafael Eleodoro; Bezerra, Arandi Jr. Ginane; Macedo, Andreia Gerniski; da Silva, Wilson José; Nogueira, Ana Flávia; Schreiber, Frank
Effects of Au Nanoparticles Suspended in Chlorobenzene Antisolvent on Mixed-Halide Perovskites Journal Article
In: ACS Omega, vol. 10, no. 38, pp. 44298-44310, 2025.
@article{doi:10.1021/acsomega.5c05967,
title = {Effects of Au Nanoparticles Suspended in Chlorobenzene Antisolvent on Mixed-Halide Perovskites},
author = {Eduardo H. Santos Rosa and Andreia Morais and Francineide Lopes Araújo and Paul Zimmermann and Alexander Hinderhofer and Jilian Nei Freitas and Rafael Eleodoro Góes and Arandi Jr. Ginane Bezerra and Andreia Gerniski Macedo and Wilson José da Silva and Ana Flávia Nogueira and Frank Schreiber},
url = {https://doi.org/10.1021/acsomega.5c05967},
doi = {10.1021/acsomega.5c05967},
year = {2025},
date = {2025-01-01},
journal = {ACS Omega},
volume = {10},
number = {38},
pages = {44298-44310},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Araujo, Francineide Lopes; Stefanelli, Maurizio; Agresti, Antonio; Pescetelli, Sara; Vito, Alessia Di; Maur, Matthias Auf Der; Vesce, Luigi; Nogueira, Ana Flavia; Carlo, Aldo Di
In: Nano Energy, vol. 142, pp. 111279, 2025, ISSN: 2211-2855.
Abstract | Links | BibTeX | Tags:
@article{DEARAUJO2025111279,
title = {Empowering perovskite modules for solar and indoor lighting applications by 1,8-diiodooctane/phenethylammonium iodide 2D perovskite passivation strategy},
author = {Francineide Lopes Araujo and Maurizio Stefanelli and Antonio Agresti and Sara Pescetelli and Alessia Di Vito and Matthias Auf Der Maur and Luigi Vesce and Ana Flavia Nogueira and Aldo Di Carlo},
url = {https://www.sciencedirect.com/science/article/pii/S221128552500638X},
doi = {https://doi.org/10.1016/j.nanoen.2025.111279},
issn = {2211-2855},
year = {2025},
date = {2025-01-01},
journal = {Nano Energy},
volume = {142},
pages = {111279},
abstract = {To accelerate commercialization of perovskite technology and its use in multiple application fields, several device processing strategies have been developed. These efforts primarily target scaling-up device fabrication for mass production and enhancing performance for different light sources (sun or indoor light). This work presents a novel 3D/2D perovskite heterostructure by depositing a mixed layer of phenethylammonium iodide (PEAI) and 1,8-diiodooctane (DIO) directly atop the 3D perovskite absorber without a further annealing step. The addition of DIO enables the formation of pure 2D PEA₂PbI₄ 4 (n = 1) at room temperature, leading to defect passivation of 3D perovskite surface, improvement in the crystallinity of 2D perovskite, and optimizing the dipole moment at perovskite/hole transport interface. Large-area PSC modules treated with PEAI:DIO achieve remarkable power conversion efficiencies of 17.7 % (32 cm²) and 15.6 % (121 cm²) under 1Sun irradiation. When exposed to indoor illumination with various LED intensities (200, 500 and 1000 lux) the PEAI:DIO engineered module demonstrated efficiency approaching 34 %, among the highest reported so far for large area modules employing perovskite with bandgap below 1.7 eV. Long-term stability tests following the ISOS-D-1 protocol reveal a threefold increase in T80 lifetime compared to untreated devices.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
To accelerate commercialization of perovskite technology and its use in multiple application fields, several device processing strategies have been developed. These efforts primarily target scaling-up device fabrication for mass production and enhancing performance for different light sources (sun or indoor light). This work presents a novel 3D/2D perovskite heterostructure by depositing a mixed layer of phenethylammonium iodide (PEAI) and 1,8-diiodooctane (DIO) directly atop the 3D perovskite absorber without a further annealing step. The addition of DIO enables the formation of pure 2D PEA₂PbI₄ 4 (n = 1) at room temperature, leading to defect passivation of 3D perovskite surface, improvement in the crystallinity of 2D perovskite, and optimizing the dipole moment at perovskite/hole transport interface. Large-area PSC modules treated with PEAI:DIO achieve remarkable power conversion efficiencies of 17.7 % (32 cm²) and 15.6 % (121 cm²) under 1Sun irradiation. When exposed to indoor illumination with various LED intensities (200, 500 and 1000 lux) the PEAI:DIO engineered module demonstrated efficiency approaching 34 %, among the highest reported so far for large area modules employing perovskite with bandgap below 1.7 eV. Long-term stability tests following the ISOS-D-1 protocol reveal a threefold increase in T80 lifetime compared to untreated devices.
Morais, Andreia; Silva, Francisco Nascimento; Ormonde, Higor Ribeiro; Ramos, Romildo Jerônimo; Moraes, Emmanuel S.; Melo, B. M. G.; Pereira, Luiz; Nogueira, Ana Flávia; de Freitas, Jilian Nei; Germino, José Carlos; Therézio, Eralci Moreira
Can chelatogenic molecules enhance the stability of air-processed MAPbI3 perovskite solar cells? A case study of salophen Journal Article
In: J. Mater. Chem. A, vol. 13, iss. 39, pp. 33175-33187, 2025.
Abstract | Links | BibTeX | Tags:
@article{D5TA02678D,
title = {Can chelatogenic molecules enhance the stability of air-processed MAPbI3 perovskite solar cells? A case study of salophen},
author = {Andreia Morais and Francisco Nascimento Silva and Higor Ribeiro Ormonde and Romildo Jerônimo Ramos and Emmanuel S. Moraes and B. M. G. Melo and Luiz Pereira and Ana Flávia Nogueira and Jilian Nei de Freitas and José Carlos Germino and Eralci Moreira Therézio},
url = {http://dx.doi.org/10.1039/D5TA02678D},
doi = {10.1039/D5TA02678D},
year = {2025},
date = {2025-01-01},
journal = {J. Mater. Chem. A},
volume = {13},
issue = {39},
pages = {33175-33187},
publisher = {The Royal Society of Chemistry},
abstract = {Perovskite solar cells have attracted attention in recent years due to their low-cost fabrication and high-power conversion efficiency. For practical applications, however, long-term stability is still a problem. The perovskite layer degrades when exposed to moisture, oxygen, temperature and UV radiation. One strategy to overcome this limitation is the modification/passivation of the perovskite layer. The use of chelatogenic molecules is an effective method because their functional groups can coordinate with the metallic center (Pb2+) of the perovskite, thereby enhancing its structural stability. Herein, we demonstrate the effect of incorporating N,N′-bis(salicylidene)-o-phenylenediamin (salophen) molecules (a Schiff base) on methylammonium lead iodide perovskite (MAPbI3) thin films. Salophen was dissolved in ethyl acetate solvent at five different concentrations and spin-coated onto MAPbI3 during the antisolvent step under ambient conditions (room temperature; relative humidity over 50%). X-ray diffractograms reveal that the addition of salophen molecules on the top of the MAPbI3 films induces better crystallization of the perovskite α-phase, eliminating the residual amount of PbI2, which simultaneously creates a hydrophobic protective surface. Steady-state photophysical characterization shows that the salophen molecules did not significantly change the optical properties of the MAPbI3 films. Nonetheless, time-resolved photoluminescence decays clearly exhibit a charge-carrier extraction pathway through the salophen passivation of MAPbI3 defects while enhancing thin film organization, a behaviour proven with surface electron microscopy images. Device efficiencies reached values higher than 18%, along with gains in stability.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perovskite solar cells have attracted attention in recent years due to their low-cost fabrication and high-power conversion efficiency. For practical applications, however, long-term stability is still a problem. The perovskite layer degrades when exposed to moisture, oxygen, temperature and UV radiation. One strategy to overcome this limitation is the modification/passivation of the perovskite layer. The use of chelatogenic molecules is an effective method because their functional groups can coordinate with the metallic center (Pb2+) of the perovskite, thereby enhancing its structural stability. Herein, we demonstrate the effect of incorporating N,N′-bis(salicylidene)-o-phenylenediamin (salophen) molecules (a Schiff base) on methylammonium lead iodide perovskite (MAPbI3) thin films. Salophen was dissolved in ethyl acetate solvent at five different concentrations and spin-coated onto MAPbI3 during the antisolvent step under ambient conditions (room temperature; relative humidity over 50%). X-ray diffractograms reveal that the addition of salophen molecules on the top of the MAPbI3 films induces better crystallization of the perovskite α-phase, eliminating the residual amount of PbI2, which simultaneously creates a hydrophobic protective surface. Steady-state photophysical characterization shows that the salophen molecules did not significantly change the optical properties of the MAPbI3 films. Nonetheless, time-resolved photoluminescence decays clearly exhibit a charge-carrier extraction pathway through the salophen passivation of MAPbI3 defects while enhancing thin film organization, a behaviour proven with surface electron microscopy images. Device efficiencies reached values higher than 18%, along with gains in stability.
Araújo, Vívian Helene Diniz; Nogueira, Ana Flávia; Tristão, Juliana Cristina; dos Santos, Leandro José
Advances in lead-free perovskite solar cell design via SCAPS-1D simulations Journal Article
In: RSC Sustainability, vol. 3, iss. 10, pp. 4314-4335, 2025.
Abstract | Links | BibTeX | Tags:
@article{D5SU00526D,
title = {Advances in lead-free perovskite solar cell design via SCAPS-1D simulations},
author = {Vívian Helene Diniz Araújo and Ana Flávia Nogueira and Juliana Cristina Tristão and Leandro José dos Santos},
url = {http://dx.doi.org/10.1039/D5SU00526D},
doi = {10.1039/D5SU00526D},
year = {2025},
date = {2025-01-01},
journal = {RSC Sustainability},
volume = {3},
issue = {10},
pages = {4314-4335},
publisher = {RSC},
abstract = {Perovskite solar cells (PSCs) have attracted significant attention over the past decade due to their high performance. However, challenges such as moisture sensitivity and the toxicity of certain constituents remain barriers to their commercialization. Tin, germanium, and other elements with optoelectronic properties similar to those of lead have emerged as promising substitutes for the B-site metal in PSCs. Theoretical studies have played a crucial role in elucidating how specific material and structural parameters influence photovoltaic behavior. Among the most prominent tools for simulating thin-film solar cells in recent years, open-source SCAPS-1D software stands out as a valuable resource. Therefore, this article presents a comprehensive review of 54 simulation studies, using SCAPS-1D, published between 2016 and 2025, focusing on lead-free PSCs. In total, 26 studies on Sn-based PSCs and 28 on perovskites with alternative B-site metals were analyzed to evaluate how simulations have contributed to understanding device performance with lead substitutes. This review also provides an overview of the current research landscape and highlights promising directions for advancing environmentally benign, lead-free PSCs through SCAPS modeling. The studies discussed in this review show a prevailing tendency to simulate PSCs in regular rather than inverted configuration. In many cases, the defect density assumed for the absorber layer is set at ideal values or even below 1013 cm−3, which potentially limits the accuracy of predictions. Among the strategies adopted to improve performance, composition engineering emerged as the most prominent.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perovskite solar cells (PSCs) have attracted significant attention over the past decade due to their high performance. However, challenges such as moisture sensitivity and the toxicity of certain constituents remain barriers to their commercialization. Tin, germanium, and other elements with optoelectronic properties similar to those of lead have emerged as promising substitutes for the B-site metal in PSCs. Theoretical studies have played a crucial role in elucidating how specific material and structural parameters influence photovoltaic behavior. Among the most prominent tools for simulating thin-film solar cells in recent years, open-source SCAPS-1D software stands out as a valuable resource. Therefore, this article presents a comprehensive review of 54 simulation studies, using SCAPS-1D, published between 2016 and 2025, focusing on lead-free PSCs. In total, 26 studies on Sn-based PSCs and 28 on perovskites with alternative B-site metals were analyzed to evaluate how simulations have contributed to understanding device performance with lead substitutes. This review also provides an overview of the current research landscape and highlights promising directions for advancing environmentally benign, lead-free PSCs through SCAPS modeling. The studies discussed in this review show a prevailing tendency to simulate PSCs in regular rather than inverted configuration. In many cases, the defect density assumed for the absorber layer is set at ideal values or even below 1013 cm−3, which potentially limits the accuracy of predictions. Among the strategies adopted to improve performance, composition engineering emerged as the most prominent.
Burgos-Caminal, Andrés; Vale, Brener R. C.; Fonseca, André F. V.; Collet, Elisa P. P.; Hidalgo, Juan F.; García, Lázaro; Watson, Luke; Borrell-Grueiro, Olivia; Corrales, María E.; Choi, Tae-Kyu; Katayama, Tetsuo; Fan, Dongxiao; Vega-Mayoral, Víctor; Garcia-Orrit, Saül; Nozawa, Shunsuke; Penfold, Thomas J.; Cabanillas-González, Juan; Adachi, Shin-Ichi; Bañares, Luis; Nogueira, Ana Flávia; Padilha, Lázaro A.; Schiavon, Marco Antônio; Gawelda, Wojciech
Selective Tracking of Charge Carrier Dynamics in CuInS2 Quantum Dots Journal Article
In: ACS Nano, vol. 19, no. 24, pp. 21950-21961, 2025, (PMID: 40501147).
@article{doi:10.1021/acsnano.4c18469,
title = {Selective Tracking of Charge Carrier Dynamics in CuInS2 Quantum Dots},
author = {Andrés Burgos-Caminal and Brener R. C. Vale and André F. V. Fonseca and Elisa P. P. Collet and Juan F. Hidalgo and Lázaro García and Luke Watson and Olivia Borrell-Grueiro and María E. Corrales and Tae-Kyu Choi and Tetsuo Katayama and Dongxiao Fan and Víctor Vega-Mayoral and Saül Garcia-Orrit and Shunsuke Nozawa and Thomas J. Penfold and Juan Cabanillas-González and Shin-Ichi Adachi and Luis Bañares and Ana Flávia Nogueira and Lázaro A. Padilha and Marco Antônio Schiavon and Wojciech Gawelda},
url = {https://doi.org/10.1021/acsnano.4c18469},
doi = {10.1021/acsnano.4c18469},
year = {2025},
date = {2025-01-01},
journal = {ACS Nano},
volume = {19},
number = {24},
pages = {21950-21961},
note = {PMID: 40501147},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Fonseca, André F. V.; Germano, Guilherme M.; Scalon, Lucas; Almeida, Charles A. N.; Barra, Alvaro C. C.; Ribeiro, Douglas S.; Brandão, Zeno C.; Marques, Francisco C.; Mora-Seró, Iván; Nogueira, Ana F.
CdS quantum dot interlayer engineering for enhanced SnO2/perovskite interfaces in solar cells Journal Article
In: Materials Today Chemistry, vol. 50, pp. 103238, 2025, ISSN: 2468-5194.
Abstract | Links | BibTeX | Tags:
@article{FONSECA2025103238,
title = {CdS quantum dot interlayer engineering for enhanced SnO2/perovskite interfaces in solar cells},
author = {André F. V. Fonseca and Guilherme M. Germano and Lucas Scalon and Charles A. N. Almeida and Alvaro C. C. Barra and Douglas S. Ribeiro and Zeno C. Brandão and Francisco C. Marques and Iván Mora-Seró and Ana F. Nogueira},
url = {https://www.sciencedirect.com/science/article/pii/S2468519425007281},
doi = {https://doi.org/10.1016/j.mtchem.2025.103238},
issn = {2468-5194},
year = {2025},
date = {2025-01-01},
journal = {Materials Today Chemistry},
volume = {50},
pages = {103238},
abstract = {Interfacial defects at the buried junction between the electron transport layer (ETL) and perovskite absorber critically hinder the performance of perovskite solar cells (PSCs). In this work, we report that a CdS quantum dot (QD) interlayer, deposited onto SnO2 via a scalable successive ionic layer adsorption and reaction (SILAR) method, provides a practical and scalable strategy to improve charge transport across this interface. The CdS QD layer not only suppresses oxygen vacancies but also reacts with hydroxyl groups on the SnO2 surface, thereby improving surface potential uniformity and enhancing the electron extraction rate. Impedance spectroscopy further confirms improved interface homogeneity and charge transport, which correlate with higher fill factor and short-circuit current density. As a result, CdS modification enables a ∼25 % efficiency enhancement on PSCs, highlighting the potential of QD-based interfacial engineering towards high-performance PSCs.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Interfacial defects at the buried junction between the electron transport layer (ETL) and perovskite absorber critically hinder the performance of perovskite solar cells (PSCs). In this work, we report that a CdS quantum dot (QD) interlayer, deposited onto SnO2 via a scalable successive ionic layer adsorption and reaction (SILAR) method, provides a practical and scalable strategy to improve charge transport across this interface. The CdS QD layer not only suppresses oxygen vacancies but also reacts with hydroxyl groups on the SnO2 surface, thereby improving surface potential uniformity and enhancing the electron extraction rate. Impedance spectroscopy further confirms improved interface homogeneity and charge transport, which correlate with higher fill factor and short-circuit current density. As a result, CdS modification enables a ∼25 % efficiency enhancement on PSCs, highlighting the potential of QD-based interfacial engineering towards high-performance PSCs.