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De Angelis, Filippo and Di Valentin, Cristiana and Fantacci, Simona and Vittadini, Andrea and Selloni, Annabella (2014) Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials. Chemical Reviews, 114 (19). pp. 9708-9753. ISSN 1520-6890
De Angelis, Filippo (2014) Modeling Materials and Processes in Hybrid/Organic Photovoltaics: From Dye-Sensitized to Perovskite Solar Cells. Accounts of Chemical Research, 47. pp. 3349-3360. ISSN 1520-4898 (In Press)
Lobello, Maria Grazia and De Angelis, Filippo and Fantacci, Simona (2014) A computational approach to the electronic, optical and acid–base properties of Ru(II) dyes for photoelectrochemical solar cells applications. Polyhedron, 82. pp. 88-103. ISSN 0277-5387
Azpiroz, Jon Mikel and De Angelis, Filippo (2014) DFT/TDDFT Study of the Adsorption of N3 and N719 Dyes on ZnO(101̅0) Surfaces. The Journal of Physical Chemistry A, 118. pp. 5885-5893. ISSN 1520-5215
Bay, Yu and Mora-Sero, Iva n and De Angelis, Filippo and Bisquert, Juan and Wang, Peng (2014) Titanium Dioxide Nanomaterials for Photovoltaic Applications. Chemical Reviews . ISSN 1520-6890
Ronca, Enrico and De Angelis, Filippo and Fantacci, Simona (2014) TDDFT Modeling of Spin-Orbit Coupling in Ruthenium and Osmium Solar Cell Sensitizers. The Journal of Physical Chemistry C , 118 (30). pp. 17067-17078. ISSN 1932-7447
Roiati, Vittoria and Mosconi, Edoardo and Listorti, Andrea and Colella, Silvia and Gigli, Giuseppe and De Angelis, Filippo (2014) Stark Effect in Perovskite/TiO2 Solar Cells: Evidence of Local Interfacial Order. Nano Letters, 14 (4). pp. 2168-2174. ISSN 1530-6984
Ronca, Enrico and Marotta, Gabriele and Pastore, Mariachiara and De Angelis, Filippo (2014) Effect of Sensitizer Structure and TiO2 Protonation on Charge Generation in Dye-Sensitized Solar Cells. The Journal of Physical Chemistry C , 118 (30). pp. 16927-16940. ISSN 1932-7447
Nunzi, Francesca and Storchi, Loriano and Manca , Michele and Giannuzzi, Michele and Gigli, Giuseppe and De Angelis, Filippo (2014) Shape and Morphology Effects on the Electronic Structure of TiO2 Nanostructures: From Nanocrystals to Nanorods. ACS Appl. Mater. Interfaces, 6 (4). pp. 2471-2478. ISSN 1944-8244
Ronca, Enrico and Pastore , Mariachiara and Belpassi, Leonardo and De Angelis, Filippo and Angeli, Celestino and Cimiraglia, Renzo and Tarantelli, Francesca (2014) Charge-displacement analysis for excited states. The Journal of Chemical Physics, 140 (054110). ISSN 0021-9606
Salvatori, Paolo and Amat, Anna and Pastore, Mariachiara and Vitillaro, Giuseppe and Sudhakar, Kolanu and Giribabu, Lingamallu and Soujanya, Yarasi and De Angelis, Filippo (2014) Corrole Dyes for Dye-Sensitized Solar Cells: the Crucial Role of the Dye/Semiconductor Energy Level Alignment. Computational & theoretical chemistry, 1030. pp. 59-66. ISSN 2210-271X
Azpiroz, Jon Mikel and Mosconi, Edoardo and Ugalde, Jesus M. and De Angelis, Filippo (2014) Effect of Structural Dynamics on the Opto-Electronic Properties of Bare and Hydrated ZnS QDs. The Journal of Physical Chemistry C , 118 (6). 3274 -3284. ISSN 1932-7447
Calbo, Joaquın and Pastore, Mariachiara and Mosconi, Edoardo and Orti, Enrique and De Angelis, Filippo (2014) Computational modeling of single- versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic properties. Physical Chemistry Chemical Physics, 16. pp. 4709-4719. ISSN 1463-9076
Fantacci, Simona and Ronca, Enrico and De Angelis, Filippo (2013) Impact of Spin–Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells. Journal of Physical Chemistry Letters , 5 (2). pp. 375-380. ISSN 1948-7185
Lobello, Maria Grazia and Wu, Kuan-Lin and Reddy, Marri Anil and Marotta, Gabriele and Graetzel, Michael and Nazeeruddin, Mohammad K. and Chi, Yun and Chandrasekharam, Malapaka and Vitillaro, Giuseppe and De Angelis, Filippo (2013) Engineering of Ru(II) dyes for interfacial and light-harvesting optimization. Dalton Transactions, 43 (7). pp. 2726-2732. ISSN 1477-9234
Singh, Varun Kumar and Salvatori, Paolo and Amat, Anna and Agrawal, Saurabh and De Angelis, Filippo and Nazeeruddin, Md.K. and Krishna, Narra Vamsi and Giribabu, Lingamallu (2013) Near-infrared absorbing unsymmetrical Zn(II) phthalocyanine for dye-sensitized solar cells. Inorganica Chimica Acta, 407. pp. 289-296. ISSN 0020-1693
Lobello, Maria Grazia and Fantacci, Simona and Manfredi, Norberto and Coluccini, Carmine and Abbotto, Alessandro and Nazeeruddin, Mohammed K. and De Angelis, Filippo (2013) Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization. Thin Solid Films. ISSN 0040-6090 (In Press)
Salvatori, Paolo and Marotta, Gabriele and Cinti, Antonio and Mosconi, Edoardo and Panigrahi, Mallika and Giribabu, Lingamallu and Nazeeruddind, Mohammad K and De Angelis, Filippo (2013) A new terpyridine cobalt complex redox shuttle for dye-sensitized solar cells. Inorganica Chimica Acta, 406. pp. 106-112. ISSN 0020-1693
Giribabu, L and Singh, Singh, Varun and Jella, Tejaswi and Soujanya,, Yarasi and Amat, Anna and De Angelis, Filippo and Yella, Aswani and Gao, Peng and Nazeeruddin, Mohammad Khaja (2013) Sterically demanded unsymmetrical zinc phthalocyanines for dye-sensitized solar cells. Dyes and pigments, 89. pp. 518-529. ISSN 0143-7208
