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Simona Fantacci
Simona Fantacci
Ricercatore SCITEC-CNR, Perugia, Italy
Verified email at cnr.it
Title
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Cited by
Year
Combined experimental and DFT-TDDFT computational study of photoelectrochemical cell ruthenium sensitizers
MK Nazeeruddin, F De Angelis, S Fantacci, A Selloni, G Viscardi, P Liska, ...
Journal of the American Chemical Society 127 (48), 16835-16847, 2005
32612005
Molecular engineering of organic sensitizers for solar cell applications
S Kim, JK Lee, SO Kang, J Ko, JH Yum, S Fantacci, F De Angelis, ...
Journal of the American Chemical Society 128 (51), 16701-16707, 2006
8782006
Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials
F De Angelis, C Di Valentin, S Fantacci, A Vittadini, A Selloni
Chemical reviews 114 (19), 9708-9753, 2014
4342014
Influence of the sensitizer adsorption mode on the open-circuit potential of dye-sensitized solar cells
F De Angelis, S Fantacci, A Selloni, M Grätzel, MK Nazeeruddin
Nano letters 7 (10), 3189-3195, 2007
3972007
Absorption Spectrum and Solvatochromism of the [Ru(4,4‘-COOH-2,2‘-bpy)2(NCS)2] Molecular Dye by Time Dependent Density Functional Theory
S Fantacci, F De Angelis, A Selloni
Journal of the American Chemical Society 125 (14), 4381-4387, 2003
3542003
Alignment of the dye’s molecular levels with the TiO2 band edges in dye-sensitized solar cells: a DFT–TDDFT study
F De Angelis, S Fantacci, A Selloni
Nanotechnology 19 (42), 424002, 2008
3312008
Controlling phosphorescence color and quantum yields in cationic iridium complexes: a combined experimental and theoretical study
F De Angelis, S Fantacci, N Evans, C Klein, SM Zakeeruddin, JE Moser, ...
Inorganic Chemistry 46 (15), 5989-6001, 2007
2712007
High open-circuit voltage solid-state dye-sensitized solar cells with organic dye
P Chen, JH Yum, FD Angelis, E Mosconi, S Fantacci, SJ Moon, RH Baker, ...
Nano letters 9 (6), 2487-2492, 2009
2672009
Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models
F De Angelis, S Fantacci, E Mosconi, MK Nazeeruddin, M Grätzel
The Journal of Physical Chemistry C 115 (17), 8825-8831, 2011
2642011
Time-dependent density functional theory investigations on the excited states of Ru (II)-dye-sensitized TiO2 nanoparticles: the role of sensitizer protonation
F De Angelis, S Fantacci, A Selloni, MK Nazeeruddin, M Grätzel
Journal of the American Chemical Society 129 (46), 14156-14157, 2007
2632007
First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications
F De Angelis, S Fantacci, A Selloni, MK Nazeeruddin, M Grätzel
The Journal of Physical Chemistry C 114 (13), 6054-6061, 2010
2552010
Efficient green-blue-light-emitting cationic iridium complex for light-emitting electrochemical cells
MK Nazeeruddin, RT Wegh, Z Zhou, C Klein, Q Wang, F De Angelis, ...
Inorganic chemistry 45 (23), 9245-9250, 2006
2182006
Organic dyes incorporating low-band-gap chromophores based on π-extended benzothiadiazole for dye-sensitized solar cells
DH Lee, MJ Lee, HM Song, BJ Song, KD Seo, M Pastore, C Anselmi, ...
Dyes and pigments 91 (2), 192-198, 2011
2062011
Electronic transitions involved in the absorption spectrum and dual luminescence of tetranuclear cubane [Cu4I4 (pyridine) 4] cluster: a density functional theory/time-dependent …
F De Angelis, S Fantacci, A Sgamellotti, E Cariati, R Ugo, PC Ford
Inorganic chemistry 45 (26), 10576-10584, 2006
2052006
A high molar extinction coefficient charge transfer sensitizer and its application in dye-sensitized solar cell
MK Nazeeruddin, T Bessho, L Cevey, S Ito, C Klein, F De Angelis, ...
Journal of Photochemistry and Photobiology A: Chemistry 185 (2-3), 331-337, 2007
2042007
Synthesis, characterization, and DFT-TDDFT computational study of a ruthenium complex containing a functionalized tetradentate ligand
C Barolo, MK Nazeeruddin, S Fantacci, D Di Censo, P Comte, P Liska, ...
Inorganic chemistry 45 (12), 4642-4653, 2006
1962006
Protic ionic liquids as p-dopant for organic hole transporting materials and their application in high efficiency hybrid solar cells
A Abate, DJ Hollman, J Teuscher, S Pathak, R Avolio, G D’Errico, ...
Journal of the american chemical society 135 (36), 13538-13548, 2013
1942013
A computational approach to the electronic and optical properties of Ru (II) and Ir (III) polypyridyl complexes: Applications to DSC, OLED and NLO
S Fantacci, F De Angelis
Coordination Chemistry Reviews 255 (21-22), 2704-2726, 2011
1942011
The role of substituents on functionalized 1, 10-phenanthroline in controlling the emission properties of cationic iridium (III) complexes of interest for electroluminescent …
C Dragonetti, L Falciola, P Mussini, S Righetto, D Roberto, R Ugo, ...
Inorganic chemistry 46 (21), 8533-8547, 2007
1892007
Electronic and optical properties of the spiro-MeOTAD hole conductor in its neutral and oxidized forms: a DFT/TDDFT investigation
S Fantacci, F De Angelis, MK Nazeeruddin, M Grätzel
The Journal of Physical Chemistry C 115 (46), 23126-23133, 2011
1842011
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