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Mosconi, Edoardo, Amat, Anna, Nazeeruddin, Md. K., Grätzel, Michael, De Angelis, Filippo (2013) First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications. The Journal of Physical Chemistry C, 117 (27). 13902-13913 doi:10.1021/jp4048659

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Reference TypeJournal (article/letter/editorial)
TitleFirst-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications
JournalThe Journal of Physical Chemistry C
AuthorsMosconi, EdoardoAuthor
Amat, AnnaAuthor
Nazeeruddin, Md. K.Author
Grätzel, MichaelAuthor
De Angelis, FilippoAuthor
Year2013 (July 11)Volume117
Issue27
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp4048659Search in ResearchGate
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Mindat Ref. ID3911996Long-form Identifiermindat:1:5:3911996:8
GUID0
Full ReferenceMosconi, Edoardo, Amat, Anna, Nazeeruddin, Md. K., Grätzel, Michael, De Angelis, Filippo (2013) First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications. The Journal of Physical Chemistry C, 117 (27). 13902-13913 doi:10.1021/jp4048659
Plain TextMosconi, Edoardo, Amat, Anna, Nazeeruddin, Md. K., Grätzel, Michael, De Angelis, Filippo (2013) First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications. The Journal of Physical Chemistry C, 117 (27). 13902-13913 doi:10.1021/jp4048659
In(2013, July) The Journal of Physical Chemistry C Vol. 117 (27) American Chemical Society (ACS)

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De Angelis, Filippo, Fantacci, Simona, Mosconi, Edoardo, Nazeeruddin, Mohammad K., Grätzel, Michael (2011) Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models. The Journal of Physical Chemistry C, 115 (17). 8825-8831 doi:10.1021/jp111949a
De Angelis, Filippo, Vitillaro, Giuseppe, Kavan, Ladislav, Nazeeruddin, Mohammad. K., Grätzel, Michael (2012) Modeling Ruthenium-Dye-Sensitized TiO2 Surfaces Exposing the (001) or (101) Faces: A First-Principles Investigation. The Journal of Physical Chemistry C, 116 (34). 18124-18131 doi:10.1021/jp306186y
De Angelis, Filippo, Fantacci, Simona, Selloni, Annabella, Nazeeruddin, Mohammad K., Grätzel, Michael (2010) First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications. The Journal of Physical Chemistry C, 114 (13). 6054-6061 doi:10.1021/jp911663k
Mosconi, Edoardo, Umari, Paolo, De Angelis, Filippo (2015) Electronic and optical properties of mixed Sn–Pb organohalide perovskites: a first principles investigation. Journal of Materials Chemistry A, 3. 9208-9215 doi:10.1039/c4ta06230b
Mosconi, Edoardo, Ronca, Enrico, De Angelis, Filippo (2014) First-Principles Investigation of the TiO2/Organohalide Perovskites Interface: The Role of Interfacial Chlorine. The Journal of Physical Chemistry Letters, 5 (15). 2619-2625 doi:10.1021/jz501127k
Mosconi, Edoardo, Merabet, Boualem, Meggiolaro, Daniele, Zaoui, Ali, De Angelis, Filippo (2018) First-Principles Modeling of Bismuth Doping in the MAPbI3 Perovskite. The Journal of Physical Chemistry C, 122 (25). 14107-14112 doi:10.1021/acs.jpcc.8b01307
Gratia, Paul, Grancini, Giulia, Audinot, Jean-Nicolas, Jeanbourquin, Xavier, Mosconi, Edoardo, Zimmermann, Iwan, Dowsett, David, Lee, Yonghui, Grätzel, Michael, De Angelis, Filippo, Sivula, Kevin, Wirtz, Tom, Nazeeruddin, Mohammad Khaja (2016) Intrinsic Halide Segregation at Nanometer Scale Determines the High Efficiency of Mixed Cation/Mixed Halide Perovskite Solar Cells. Journal Of The American Chemical Society, 138 (49) 15821-15824 doi:10.1021/jacs.6b10049
Kaiser, Waldemar, Carignano, Marcelo, Alothman, Asma A., Mosconi, Edoardo, Kachmar, Ali, Goddard, William A., De Angelis, Filippo (2021) First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals. The Journal of Physical Chemistry Letters, 12 (49) 11886-11893 doi:10.1021/acs.jpclett.1c03428
Pastore, Mariachiara, Mosconi, Edoardo, De Angelis, Filippo, Grätzel, Michael (2010) A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues. The Journal of Physical Chemistry C, 114 (15). 7205-7212 doi:10.1021/jp100713r
Umari, Paolo, Mosconi, Edoardo, De Angelis, Filippo (2018) Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites. The Journal of Physical Chemistry Letters, 9 (3). 620-627 doi:10.1021/acs.jpclett.7b03286
Feng, Jie, Jiao, Yang, Ma, Wei, Nazeeruddin, Md. K., Grätzel, Michael, Meng, Sheng (2013) First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells. The Journal of Physical Chemistry C, 117 (8). 3772-3778 doi:10.1021/jp310504n
 
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