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Filippo de Angelis

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Related publications (65)

Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization

Mohammad Khaja Nazeeruddin, Filippo de Angelis

We report the design, synthesis and computational investigation of a class of Ru(II)-dyes based on mixed bipyridine ligands for use in dye-sensitized solar cells. These dyes are designed to preserve the optimal anchoring mode of the prototypical N719 sensi ...

Elsevier2014

Thiocyanate-Free Ruthenium(II) Sensitizers for Dye-Sensitized Solar Cells Based on the Cobalt Redox Couple

Michael Graetzel, Mohammad Khaja Nazeeruddin, Aswani Yella, Kuan-Lin Wu, Filippo de Angelis, Shilong Wang

Two thiocyanate-free ruthenium(II) sensitizers, TFRS-41 and TFRS-42, with distinctive dialkoxyphenyl thienyl substituents were successfully prepared and tested for potential applications in making dye-sensitized solar cells (DSCs). Subsequent device fabric ...

Wiley-VCH Verlag Berlin2014

Engineering of Ru(II) dyes for interfacial and light-harvesting optimization

Michael Graetzel, Mohammad Khaja Nazeeruddin, Kuan-Lin Wu, Gabriele Marotta, Filippo de Angelis

A new Ru(II) dye, Ru(L1)(L2) (NCS)(2), L1 = (4-(5-hexylthiophen-2-yl)-4'(4-carboxyl-phenyl 2,2'-bipyridine) and L2 = (4-4'-dicarboxy-2,2'- bipyridine), labelled MC112, based on a dissymmetric bipyridine ligand for improved interfacial and optical propertie ...

Royal Society of Chemistry2014

First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications

Michael Graetzel, Mohammad Khaja Nazeeruddin, Filippo de Angelis

We computationally investigate organometal CH3NH3PbX3 and mixed halide CH3NH3PbI2X perovskites (X = Cl, Br, I), which are key materials for high efficiency solid-state solar cells. CH3NH3PbX3 perovskites exhibited the expected absorption blue shift along t ...

American Chemical Society2013

Energy-level alignment in organic dye-sensitized TiO2 from GW calculations

Luigi Giacomazzi, Filippo de Angelis

The electronic energy levels of some representative isolated and oxide-supported organic dyes, relevant for photovoltaic applications, are investigated using many-body perturbation theory within the GW approximation. We consider a set of all-organic dyes ( ...

Amer Inst Physics2013

A new terpyridine cobalt complex redox shuttle for dye-sensitized solar cells

Mohammad Khaja Nazeeruddin, Gabriele Marotta, Filippo de Angelis

A new cobalt-terpyridine redox shuttle (Co(Cl-phenyl-terpyridine)(2)) has been synthesized, characterized, computationally investigated and then tested in photovoltaic devices, in conjunction with the prototypical N719 and Z907 ruthenium dyes. Low ...

Elsevier2013

Near-infrared absorbing unsymmetrical Zn(II) phthalocyanine for dye-sensitized solar cells

Mohammad Khaja Nazeeruddin, Filippo de Angelis

Unsymmetrical Zn phthalocyanine consisting of six S-aryl groups at alpha-positions and a carboxy anchoring group at beta-position has been designed and synthesized for dye-sensitized solar cells (DSCs) applications. The unsymmetrical phthalocyanine has bee ...

Elsevier2013

A Simple Synthetic Route to Obtain Pure Trans-Ruthenium(II) Complexes for Dye-Sensitized Solar Cell Applications

Michael Graetzel, Mohammad Khaja Nazeeruddin, Guido Viscardi, Davide Di Censo, Jun Ho Yum, Filippo de Angelis

We report a facile synthetic route to obtain functionalized quaterpyridine ligand and its trans-dithiocyanato ruthenium complex, based on a microwave-assisted procedure. The ruthenium complex has been purified using a silica chromatographic column by prote ...

Wiley-VCH Verlag Berlin2013

Sterically demanded unsymmetrical zinc phthalocyanines for dye-sensitized solar cells

Mohammad Khaja Nazeeruddin, Aswani Yella, Peng Gao, Filippo de Angelis

Three new sterically demanding unsymmetrical zinc phthalocyanines have been designed and synthesized as sensitizers for dye-sensitized solar cells. All three unsymmetrical phthalocyanines have been completely characterized by elemental analyses, mass spect ...

Elsevier2013

High Open-Circuit Voltages: Evidence for a Sensitizer-Induced TiO2 Conduction Band Shift in Ru(II)-Dye Sensitized Solar Cells

Michael Graetzel, Mohammad Khaja Nazeeruddin, Thomas Moehl, Hoi Nok Tsao, Kuan-Lin Wu, Filippo de Angelis

Dye-sensitized solar cells (DSC) represent a valuable, efficient, and low-cost alternative to conventional semiconductor photovoltaic devices. A deeper understanding of the interactions at the dye/semiconductor heterointerface is fundamental for future pro ...

American Chemical Society2013

Engineering of thiocyanate-free Ru(II) sensitizers for high efficiency dye-sensitized solar cells

Michael Graetzel, Jacques-Edouard Moser, Mohammad Khaja Nazeeruddin, Elham Ghadiri, Kuan-Lin Wu, Filippo de Angelis, Shilong Wang

We synthesized a series of Ru(II) metal complexes TFRS-1, -2, -4, -21, -22 and -24 with a single 4,40- dicarboxylic acid-2,20-bipyridine together with two functionalized pyridyl azolate ancillary ligands consisting of pyrazolate or triazolate groups. Both ...

Royal Soc Chemistry2013

Measured binding coefficients for iodine and ruthenium dyes; implications for recombination in dye sensitised solar cells

Shaik Mohammed Zakeeruddin, Robin Humphry-Baker, Xiong Li, Filippo de Angelis

We have measured the binding coefficients of iodine to three dyes used in Dye Sensitised Solar Cells (DSSCs). Binding coefficients are quantified via the effect of iodine binding on the UV-vis spectrum of the dye. From iodine titration curves of dye sensit ...

Royal Society of Chemistry2012

Cobalt Electrolyte/Dye Interactions in Dye-Sensitized Solar Cells: A Combined Computational and Experimental Study

Michael Graetzel, Mohammad Khaja Nazeeruddin, Jun Ho Yum, Filippo de Angelis

We report a combined experimental and computational investigation to understand the nature of the interactions between cobalt redox mediators and TiO2 surfaces sensitized by :ruthenium and organic dyes, and their impact on. the performance of the correspon ...

American Chemical Society2012

Bistriphenylamine-based organic sensitizers with high molar extinction coefficients for dye-sensitized solar cells

Michael Graetzel, Mohammad Khaja Nazeeruddin, Hoi Nok Tsao, Filippo de Angelis

A series of novel bistriphenylamine-based organic sensitizers (coded as RC-dyes) with high molar extinction coefficients (>5.0 x 10(4) M-1 cm(-1)) have been synthesized for dye-sensitized solar cells (DSSCs). By changing the length of the pi-conjugation br ...

2012

Influence of Donor Groups of Organic D-pi-A Dyes on Open-Circuit Voltage in Solid-State Dye-Sensitized Solar Cells

Michael Graetzel, Mohammad Khaja Nazeeruddin, Thomas Moehl, Chenyi Yi, Amalie Dualeh, Filippo de Angelis

In solid-state dye-sensitized solar cells (ssDSCs), the poor pore filling of the mesoporous semiconductor and the short diffusion length of charge carriers, in the hole-transport material (HTM) have limited the mesoscopic titania layer to a thickness of 2- ...

American Chemical Society2012

Modeling Ruthenium-Dye-Sensitized TiO2 Surfaces Exposing the (001) or (101) Faces: A First-Principles Investigation

Michael Graetzel, Mohammad Khaja Nazeeruddin, Ladislav Kavan, Filippo de Angelis

We present a first-principles computational investigation on the adsorption mode and electronic structure of the highly efficient heteroleptic ruthenium dye C101, [NaRu(4,4'-bis(5-hexylthiophene-2-yl)-2,2'-bipyridine)(4-carboxylic acid-4'-carboxylate-2,2'- ...

American Chemical Society2012

Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis

Mohammad Khaja Nazeeruddin, Filippo de Angelis

We report a combined spectro-photometric and computational investigation of the acid-base equilibria of the N3 solar cell sensitizer [Ru(dcbpyH(2))(2)(NCS)(2)] (dcbpyH(2) = 4,4'-dicarboxyl-2,2' bipyridine) in aqueous/ethanol solutions. The absorption spect ...

Royal Society of Chemistry2012

Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand

Michael Graetzel, Mohammad Khaja Nazeeruddin, Rosario Scopelliti, Xiaoyu Zhang, Filippo de Angelis

Phenyl-imidazole-based ligands with various substitution patterns have been used as the main ligand for heteroleptic bis-cyclometalated Iridium complexes. Two series of complexes have been prepared and their photophysical and electrochemical properties wer ...

2011

Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models

Michael Graetzel, Mohammad Khaja Nazeeruddin, Filippo de Angelis

We have investigated the absorption spectrum and the alignment of ground and excited state energies for the prototypical N719 Ru(II) sensitizer adsorbed on an extended TiO2 model by means of high level DFT/TDDFT calculations. The calculated and experimenta ...

American Chemical Society2011

Organic dyes incorporating low-band-gap chromophores based on pi-extended benzothiadiazole for dye-sensitized solar cells

Michael Graetzel, Mohammad Khaja Nazeeruddin, Filippo de Angelis

A series of new it-conjugated organic dyes (HKK-BTZ1, HKK-BTZ2, HKK-BTZ3 and HKK-BTZ4), comprising triphenylamine (TPA) moieties as the electron donor and benzothiadiazole moieties as the electron acceptor/anchoring groups, was synthesized for the use in d ...

Elsevier2011

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