http://www.cnr.it/ontology/cnr/individuo/modulo/ID7725
Design e test di sensibilizzatori e materiali per celle solari fotosensibilizzate (PM.P04.012.001)
- Type
- Label
- Design e test di sensibilizzatori e materiali per celle solari fotosensibilizzate (PM.P04.012.001) (literal)
- Prodotto
- Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells. Models: An Ab Initio Investigation (Articolo in rivista) (Prodotto della ricerca)
- A Joint Experimental and Theoretical Investigation on Nonlinear Optical (NLO) Properties of a New Class of Push-Pull Spirobifluorene Compounds (Articolo in rivista) (Prodotto della ricerca)
- A new terpyridine cobalt complex redox shuttle for dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Fluorinated beta-Diketonate Diglyme Lanthanide Complexes as New Second-Order Nonlinear Optical Chromophores: The Role of f Electrons in the Dipolar and Octupolar Contribution to Quadratic Hyperpolarizability (Articolo in rivista) (Prodotto della ricerca)
- Thiocyanate-Free Ruthenium(II) Sensitizer with a Pyrid-2-yltetrazolate Ligand for Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Novel Carbazole-Phenothiazine Dyads for Dye-Sensitized Solar Cells: A Combined Experimental and Theoretical Study (Articolo in rivista) (Prodotto della ricerca)
- Computational Modeling of Isoindigo-Based Polymers Used in Organic Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Physicochemical investigation of the panchromatic effect on ?-substituted ZnII porphyrinates for DSSCs: The role of the ? bridge between a dithienylethylene unit and the porphyrinic ring (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Synthesis and functionalization of novel tetrathia[7]helicenes as new push-pull systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations (Articolo in rivista) (Prodotto della ricerca)
- Modeling Materials and Processes in Dye-Sensitized Solar Cells: Understanding the Mechanism, Improving the Efficiency (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Modeling the effect of ionic additives on the optical and electronic properties of a dye-sensitized TiO2 heterointerface: absorption, charge injection and aggregation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT studies of beta-elimination reactions in water solution with different bases: Theory vs experiment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An Integrated Experimental and Theoretical Approach to the Spectroscopy of Organic-Dye-Sensitized TiO2 Heterointerfaces: Disentangling the Effects of Aggregation, Solvation, and Surface Protonation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Tetraaryl ZnII Porphyrinates Substituted at ?-Pyrrolic Positions as Sensitizers in Dye-Sensitized Solar Cells: A Comparison with meso-Disubstituted Push-Pull ZnII Porphyrinates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- New Push-pull Zn(II) porphyrins as potential photosensitizers for DSSC (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Zn(II) porphyrinic photosensitizer for DSSC (Comunicazione a convegno) (Prodotto della ricerca)
- Highly stable 7-N,N-dibutylamino-2-azaphenanthrene and 8-N,N-dibutylamino-2-azachrysene as a new class of second order NLO-active chromophores. (Articolo in rivista) (Prodotto della ricerca)
- A photoelectrochemical investigation of push-pull Zn(II) porphyrins as potential photosensitizers for dye-sensitized solar cells (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Cyclometalated Ir-III Complexes with Substituted 1,10-Phenanthrolines: A New Class of Efficient Cationic Organometallic Second-Order NLO Chromophores (Articolo in rivista) (Prodotto della ricerca)
- Stark Effect in Perovskite/TiO2 Solar Cells: Evidence of Local Interfacial Order (Articolo in rivista) (Prodotto della ricerca)
- NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS (Brevetto) (Prodotto della ricerca)
- Pyridine-N-oxide 2-carboxylic acid: An acceptor group for organic sensitizers with enhanced anchoring stability in dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Computational modeling of single-versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic properties (Articolo in rivista) (Prodotto della ricerca)
- Modeling ZnS and ZnO Nanostructures: Structural, Electronic, and Optical Properties (Articolo in rivista) (Prodotto della ricerca)
- Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Stereoselective Epoxidation of Cyclic Dienes and Trienes by Dioxiranes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS (Brevetto) (Prodotto della ricerca)
- Titanium dioxide nanomaterials for photovoltaic applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Metal-Free Benzodithiophene-Containing Organic Dyes for Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Effect of sensitizer structure and TiO2 protonation on charge generation in dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Triphenylamine-functionalized corrole sensitizers for solar-cell applications (Articolo in rivista) (Prodotto della ricerca)
- Bistriphenylamine-based organic sensitizers with high molar extinction coefficients for dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Effect of molecular fluctuations on hole diffusion within dye monolayers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational modelling of TiO2 surfaces sensitized by organic dyes with different anchoring groups: adsorption modes, electronic structure and implication for electron injection/recombination (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational Investigation of Dye-Iodine Interactions in Organic Dye-Sensitized Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Solvent Effects on the Adsorption Geometry and Electronic Structure of Dye-Sensitized TiO2 : A First-Principles Investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Joint electrical, photophysical and computational studies on D-pi-A dye sensitized solar cells: the impacts of dithiophene rigidification (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Coumarin dyes containing low-band-gap chromophores for dye-sensitised solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation (Articolo in rivista) (Prodotto della ricerca)
- A combined molecular dynamics and computational spectroscopy study of a dye-sensitized solar cell (Articolo in rivista) (Prodotto della ricerca)
- Elusive presence of chloride in mixed halide perovskite solar cells (Articolo in rivista) (Prodotto della ricerca)
- pi-Core tailoring for new high performance thieno(bis)imide based n-type molecular semiconductors (Articolo in rivista) (Prodotto della ricerca)
- Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment (Articolo in rivista) (Prodotto della ricerca)
- Computational Modeling of Stark Effects in Organic Dye-Sensitized TiO2 Heterointerfaces (Articolo in rivista) (Prodotto della ricerca)
- Shape and Morphology Effects on the Electronic Structure of TiO2 Nanostructures: From Nanocrystals to Nanorods (Articolo in rivista) (Prodotto della ricerca)
- Energy levels, charge injection, charge recombination and dye regeneration dynamics for donor-acceptor ?-conjugated organic dyes in mesoscopic TiO2 sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Effect of Structural Dynamics on the Opto-Electronic Properties of Bare and Hydrated ZnS QDs (Articolo in rivista) (Prodotto della ricerca)
- Engineering of thiocyanate-free Ru(II) sensitizers for high efficiency dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Stability of ruthenium/organic dye co-sensitized solar cells: A joint experimental and computational investigation (Articolo in rivista) (Prodotto della ricerca)
- NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS (Brevetto) (Brevetto)
- Sterically demanded unsymmetrical zinc phthalocyanines for dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Modulating the electronic properties of asymmetric push-pull and symmetric Zn(II)-diarylporphyrinates with para substituted phenylethynyl moieties in 5,15 meso positions: a combined electrochemical and spectroscopic investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT Investigation of Ligand-Based Reduction of CO2 to CO on an Anionic Niobium Nitride Complex: Reaction Mechanism and Role of the Na+ Counterion (Articolo in rivista) (Prodotto della ricerca)
- Photophysical and Electrochemical Properties of Thiophene-Based 2-Arylpyridines (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Cobalt Electrolyte/Dye Interactions in Dye-Sensitized Solar Cells: A Combined Computational and Experimental Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Modeling Ruthenium-Dye-Sensitized TiO2 Surfaces Exposing the (001) or (101) Faces: A First-Principles Investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Assessment of new gem-silanediols as suitable sensitizers for dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Quaterpyridine Ligands for Panchromatic Ru(II) Dye Sensitizers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Optoelectronic properties of (ZnO)60 isomers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Novel Heteroleptic Ru(II) Complexes: Synthesis, Characterization and Application in Dye-Sensitized Solar Cells. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Transient absorption spectroscopy of a heteroaromatic donor-acceptor-?-conjugated 2,2?-bipyridine dye (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Functionalized Ruthenium Dialkynyl Complexes with High Second-Order Nonlinear Optical Properties and Good Potential as Dye Sensitizers for Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Size effect of synthetic saponite-clay in quasi-solid electrolyte for dye-sensititized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Charge-displacement analysis for excited states (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Organic Dyes Containing A Triple Bond Spacer for Dye Sensitized Solar Cells: A Combined Experimental and Theoretical Investigation (Articolo in rivista) (Prodotto della ricerca)
- DFT/TDDFT Study of the Adsorption of N3 and N719 Dyes on ZnO(101?0) Surfaces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Bis-Donor-Bis-Acceptor Tribranched Organic Sensitizers for Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Effect of iodine intercalation in nanosized layered double hydroxides for the preparation of quasi-solid electrolyte in DSSC devices (Articolo in rivista) (Prodotto della ricerca)
- Unexpectedly high second-order nonlinear optical properties of simple Ru and Pt alkynyl complexes as an analytical springboard for NLO-active polymer films (Articolo in rivista) (Prodotto della ricerca)
- Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials (Articolo in rivista) (Prodotto della ricerca)
- The impact of the crystallization processes on the structural and optical properties of hybrid perovskite films for photovoltaics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Thiocyanate-free ruthenium(II) sensitizers for dye-sensitized solar cells based on the cobalt redox couple (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Effect of the anchoring group in the performance of carbazole-phenothiazine dyads for dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Extremely Slow Photoconductivity Response of CH3NH3PbI3 Perovskites Suggesting Structural Changes under Working Conditions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- First-principles investigation of the TiO2/organohalide perovskites interface: The role of interfacial chlorine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photoreduction of Carbon Dioxide to Formic Acid in Aqueous Suspension: A Comparison between Phthalocyanine/TiO2 and Porphyrin/TiO2 Catalysed Processes (Articolo in rivista) (Prodotto della ricerca)
- Intermolecular Interactions in Dye-Sensitized Solar Cells: A Computational Modeling Perspective (Articolo in rivista) (Prodotto della ricerca)
- Everything you always wanted to Know about Black Dye (but Were Afraid to Ask): A DFT/TDDFT Investigation (Articolo in rivista) (Prodotto della ricerca)
- High Open-Circuit Voltages: Evidence for a Sensitizer-Induced TiO2 Conduction Band Shift in Ru(II)-Dye Sensitized Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Simple Synthetic Route to Obtain Pure Trans-Ruthenium(II) Complexes for Dye-Sensitized Solar Cell Applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- MAPbI3-xClx mixed halide perovskite for hybrid solar cells: The role of chloride as dopant on the transport and structural properties (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Boron Functionalization and Unusual B-C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Synthesis, size-dependent optoelectronic and charge transport properties of thieno(bis)imide end-substituted molecular semiconductors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Near-infrared absorbing unsymmetrical Zn(II) phthalocyanine for dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- MAPbI3-xClx Mixed Halide Perovskite for Hybrid Solar Cells: the Role of Chloride as Dopant on the Transport and Structural Properties (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges (Articolo in rivista) (Prodotto della ricerca)
- Graphene-organic hybrids as processable, tunable platforms for pH-dependent photoemission, obtained by a new modular approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- MAPbI3-xClx Mixed Halide Perovskite for Hybrid Solar Cells: the Role of Chloride as Dopant on the Transport and Structural Properties (Comunicazione a convegno) (Prodotto della ricerca)
- A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures (Articolo in rivista) (Prodotto della ricerca)
- First-Principles Computational Modeling of Fluorescence Resonance Energy Transfer in Co-Sensitized Dye Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Methyl(trifluoromethyl)dioxirane (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis (Articolo in rivista) (Prodotto della ricerca)
- Optical properties of ZnO nanostructures: a hybrid DFT/TDDFT investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Metal-free benzodithiophene-based photosensitizers for manufacturing solar cells (Brevetto) (Prodotto della ricerca)
- A multitechnique physicochemical investigation of various factors controlling the photoaction spectra and of some aspects of the electron transfer for a series of push-pull Zn(II) porphyrins acting as dyes in DSSCs (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Dimethyldioxirane (Contributo in volume (capitolo o saggio)) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1201)
- A vinylene-linked benzo[1,2-b:4,5-b']dithiophene-2,1,3-benzothiadiazole low-bandgap polymer (Articolo in rivista) (Prodotto della ricerca)
- First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment (Articolo in rivista) (Prodotto della ricerca)
- Luminescent cyclometallated Ir(III) and Pt(II) complexes with beta-diketonate ligands as highly active second-order NLO chromophores (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An inconvenient influence of iridium(III) isomer on OLED efficiency. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Tuning the Dipolar Second-Order Nonlinear Optical Properties of Cyclometalated Platinum(II) Complexes with Tridentate N^C^N Binding Ligands (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Codice
- Anno di chiusura previsto
- 2017-01-01T00:00:00+01:00 (literal)
- Istituto esecutore
- Abstract
- l ruolo di questo modulo nella commessa e' duplice. Da un lato verra' messa a punto, implementata e testata una metodologia computazionale integrata per la predizione delle proprieta' elettroniche ed ottiche di nuovi fotosensibilizzatori organici ed inorganici. Tale metodologia verra' poi estesa alla simulazione di fotosensibilizzatori su superficie di semiconduttori per comprendere in dettaglio i parametri che governano l'efficienza dei dispositivi DSSC risultanti. Tale metodologia permettera' lo screening predittivo di nuovi fotosensibilizzatori ed il design di nuove funzionalita' per ottenere efficienze e stabilita' migliori di questi sistemi quando impiegati in dispositivi DSSC.
Il secondo aspetto di cui ci si occupera' riguarda la fabbricazione di dispositivi DSSC basati sui nuovi fotosensibilizzatori che verranno sviluppati nell'ambito degli altri due moduli. Questo aspetto e' particolarmente rilevante dato che consentira' di realizzare l'intera filiera dal design alla sintesi alla fabbricazione del dispositivo ed al suo test nell'ambito stesso della commessa, senza ricorso a competenze esterne. (literal)
- Nome
- Design e test di sensibilizzatori e materiali per celle solari fotosensibilizzate (literal)
- Descrizione
- Modulo di
- Gestore
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- Fluorinated beta-Diketonate Diglyme Lanthanide Complexes as New Second-Order Nonlinear Optical Chromophores: The Role of f Electrons in the Dipolar and Octupolar Contribution to Quadratic Hyperpolarizability (Articolo in rivista) (Prodotto della ricerca)
- Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells. Models: An Ab Initio Investigation (Articolo in rivista) (Prodotto della ricerca)
- A Joint Experimental and Theoretical Investigation on Nonlinear Optical (NLO) Properties of a New Class of Push-Pull Spirobifluorene Compounds (Articolo in rivista) (Prodotto della ricerca)
- Synthesis and functionalization of novel tetrathia[7]helicenes as new push-pull systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT studies of beta-elimination reactions in water solution with different bases: Theory vs experiment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Highly stable 7-N,N-dibutylamino-2-azaphenanthrene and 8-N,N-dibutylamino-2-azachrysene as a new class of second order NLO-active chromophores. (Articolo in rivista) (Prodotto della ricerca)
- Cyclometalated Ir-III Complexes with Substituted 1,10-Phenanthrolines: A New Class of Efficient Cationic Organometallic Second-Order NLO Chromophores (Articolo in rivista) (Prodotto della ricerca)
- A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An inconvenient influence of iridium(III) isomer on OLED efficiency. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Luminescent cyclometallated Ir(III) and Pt(II) complexes with beta-diketonate ligands as highly active second-order NLO chromophores (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Optical properties of ZnO nanostructures: a hybrid DFT/TDDFT investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A multitechnique physicochemical investigation of various factors controlling the photoaction spectra and of some aspects of the electron transfer for a series of push-pull Zn(II) porphyrins acting as dyes in DSSCs (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A photoelectrochemical investigation of push-pull Zn(II) porphyrins as potential photosensitizers for dye-sensitized solar cells (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- New Push-pull Zn(II) porphyrins as potential photosensitizers for DSSC (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Zn(II) porphyrinic photosensitizer for DSSC (Comunicazione a convegno) (Prodotto della ricerca)
- Metal-Free Benzodithiophene-Containing Organic Dyes for Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Computational modelling of TiO2 surfaces sensitized by organic dyes with different anchoring groups: adsorption modes, electronic structure and implication for electron injection/recombination (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Joint electrical, photophysical and computational studies on D-pi-A dye sensitized solar cells: the impacts of dithiophene rigidification (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Solvent Effects on the Adsorption Geometry and Electronic Structure of Dye-Sensitized TiO2 : A First-Principles Investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational Investigation of Dye-Iodine Interactions in Organic Dye-Sensitized Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Bistriphenylamine-based organic sensitizers with high molar extinction coefficients for dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment (Articolo in rivista) (Prodotto della ricerca)
- pi-Core tailoring for new high performance thieno(bis)imide based n-type molecular semiconductors (Articolo in rivista) (Prodotto della ricerca)
- Energy levels, charge injection, charge recombination and dye regeneration dynamics for donor-acceptor ?-conjugated organic dyes in mesoscopic TiO2 sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Computational Modeling of Stark Effects in Organic Dye-Sensitized TiO2 Heterointerfaces (Articolo in rivista) (Prodotto della ricerca)
- Coumarin dyes containing low-band-gap chromophores for dye-sensitised solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A combined molecular dynamics and computational spectroscopy study of a dye-sensitized solar cell (Articolo in rivista) (Prodotto della ricerca)
- Modeling ZnS and ZnO Nanostructures: Structural, Electronic, and Optical Properties (Articolo in rivista) (Prodotto della ricerca)
- NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS (Brevetto) (Prodotto della ricerca)
- Assessment of new gem-silanediols as suitable sensitizers for dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Metal-free benzodithiophene-based photosensitizers for manufacturing solar cells (Brevetto) (Prodotto della ricerca)
- A vinylene-linked benzo[1,2-b:4,5-b']dithiophene-2,1,3-benzothiadiazole low-bandgap polymer (Articolo in rivista) (Prodotto della ricerca)
- Graphene-organic hybrids as processable, tunable platforms for pH-dependent photoemission, obtained by a new modular approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- First-Principles Computational Modeling of Fluorescence Resonance Energy Transfer in Co-Sensitized Dye Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis (Articolo in rivista) (Prodotto della ricerca)
- A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures (Articolo in rivista) (Prodotto della ricerca)
- NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS (Brevetto) (Prodotto della ricerca)
- Stereoselective Epoxidation of Cyclic Dienes and Trienes by Dioxiranes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Modulating the electronic properties of asymmetric push-pull and symmetric Zn(II)-diarylporphyrinates with para substituted phenylethynyl moieties in 5,15 meso positions: a combined electrochemical and spectroscopic investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Quaterpyridine Ligands for Panchromatic Ru(II) Dye Sensitizers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Optoelectronic properties of (ZnO)60 isomers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Modeling Ruthenium-Dye-Sensitized TiO2 Surfaces Exposing the (001) or (101) Faces: A First-Principles Investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Cobalt Electrolyte/Dye Interactions in Dye-Sensitized Solar Cells: A Combined Computational and Experimental Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Transient absorption spectroscopy of a heteroaromatic donor-acceptor-?-conjugated 2,2?-bipyridine dye (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photophysical and Electrochemical Properties of Thiophene-Based 2-Arylpyridines (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT Investigation of Ligand-Based Reduction of CO2 to CO on an Anionic Niobium Nitride Complex: Reaction Mechanism and Role of the Na+ Counterion (Articolo in rivista) (Prodotto della ricerca)
- Organic Dyes Containing A Triple Bond Spacer for Dye Sensitized Solar Cells: A Combined Experimental and Theoretical Investigation (Articolo in rivista) (Prodotto della ricerca)
- Bis-Donor-Bis-Acceptor Tribranched Organic Sensitizers for Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS (Brevetto) (Brevetto)
- Engineering of thiocyanate-free Ru(II) sensitizers for high efficiency dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Sterically demanded unsymmetrical zinc phthalocyanines for dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges (Articolo in rivista) (Prodotto della ricerca)
- Intermolecular Interactions in Dye-Sensitized Solar Cells: A Computational Modeling Perspective (Articolo in rivista) (Prodotto della ricerca)
- Everything you always wanted to Know about Black Dye (but Were Afraid to Ask): A DFT/TDDFT Investigation (Articolo in rivista) (Prodotto della ricerca)
- MAPbI3-xClx mixed halide perovskite for hybrid solar cells: The role of chloride as dopant on the transport and structural properties (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Boron Functionalization and Unusual B-C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Synthesis, size-dependent optoelectronic and charge transport properties of thieno(bis)imide end-substituted molecular semiconductors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Near-infrared absorbing unsymmetrical Zn(II) phthalocyanine for dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Simple Synthetic Route to Obtain Pure Trans-Ruthenium(II) Complexes for Dye-Sensitized Solar Cell Applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- High Open-Circuit Voltages: Evidence for a Sensitizer-Induced TiO2 Conduction Band Shift in Ru(II)-Dye Sensitized Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment (Articolo in rivista) (Prodotto della ricerca)
- A new terpyridine cobalt complex redox shuttle for dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Modeling the effect of ionic additives on the optical and electronic properties of a dye-sensitized TiO2 heterointerface: absorption, charge injection and aggregation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Tuning the Dipolar Second-Order Nonlinear Optical Properties of Cyclometalated Platinum(II) Complexes with Tridentate N^C^N Binding Ligands (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Energy-level alignment in organic dye-sensitized TiO<sub>2</sub> from GW calculations (Articolo in rivista) (Prodotto della ricerca)
- Modeling Materials and Processes in Dye-Sensitized Solar Cells: Understanding the Mechanism, Improving the Efficiency (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Computational Modeling of Isoindigo-Based Polymers Used in Organic Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Thiocyanate-Free Ruthenium(II) Sensitizer with a Pyrid-2-yltetrazolate Ligand for Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Novel Carbazole-Phenothiazine Dyads for Dye-Sensitized Solar Cells: A Combined Experimental and Theoretical Study (Articolo in rivista) (Prodotto della ricerca)
- Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells (Articolo in rivista) (Prodotto della ricerca)
- Tetraaryl ZnII Porphyrinates Substituted at ?-Pyrrolic Positions as Sensitizers in Dye-Sensitized Solar Cells: A Comparison with meso-Disubstituted Push-Pull ZnII Porphyrinates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Effect of Structural Dynamics on the Opto-Electronic Properties of Bare and Hydrated ZnS QDs (Articolo in rivista) (Prodotto della ricerca)
- Shape and Morphology Effects on the Electronic Structure of TiO2 Nanostructures: From Nanocrystals to Nanorods (Articolo in rivista) (Prodotto della ricerca)
- Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Effect of the anchoring group in the performance of carbazole-phenothiazine dyads for dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The impact of the crystallization processes on the structural and optical properties of hybrid perovskite films for photovoltaics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- MAPbI3-xClx Mixed Halide Perovskite for Hybrid Solar Cells: the Role of Chloride as Dopant on the Transport and Structural Properties (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Photoreduction of Carbon Dioxide to Formic Acid in Aqueous Suspension: A Comparison between Phthalocyanine/TiO2 and Porphyrin/TiO2 Catalysed Processes (Articolo in rivista) (Prodotto della ricerca)
- Methyl(trifluoromethyl)dioxirane (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Charge-displacement analysis for excited states (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT/TDDFT Study of the Adsorption of N3 and N719 Dyes on ZnO(101?0) Surfaces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Unexpectedly high second-order nonlinear optical properties of simple Ru and Pt alkynyl complexes as an analytical springboard for NLO-active polymer films (Articolo in rivista) (Prodotto della ricerca)
- Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials (Articolo in rivista) (Prodotto della ricerca)
- First-principles investigation of the TiO2/organohalide perovskites interface: The role of interfacial chlorine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Extremely Slow Photoconductivity Response of CH3NH3PbI3 Perovskites Suggesting Structural Changes under Working Conditions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Thiocyanate-free ruthenium(II) sensitizers for dye-sensitized solar cells based on the cobalt redox couple (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Stability of ruthenium/organic dye co-sensitized solar cells: A joint experimental and computational investigation (Articolo in rivista) (Prodotto della ricerca)
- Size effect of synthetic saponite-clay in quasi-solid electrolyte for dye-sensititized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Effect of iodine intercalation in nanosized layered double hydroxides for the preparation of quasi-solid electrolyte in DSSC devices (Articolo in rivista) (Prodotto della ricerca)
- MAPbI3-xClx Mixed Halide Perovskite for Hybrid Solar Cells: the Role of Chloride as Dopant on the Transport and Structural Properties (Comunicazione a convegno) (Prodotto della ricerca)
- An Integrated Experimental and Theoretical Approach to the Spectroscopy of Organic-Dye-Sensitized TiO2 Heterointerfaces: Disentangling the Effects of Aggregation, Solvation, and Surface Protonation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Physicochemical investigation of the panchromatic effect on ?-substituted ZnII porphyrinates for DSSCs: The role of the ? bridge between a dithienylethylene unit and the porphyrinic ring (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational modeling of single-versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic properties (Articolo in rivista) (Prodotto della ricerca)
- Pyridine-N-oxide 2-carboxylic acid: An acceptor group for organic sensitizers with enhanced anchoring stability in dye-sensitized solar cells (Articolo in rivista) (Prodotto della ricerca)
- Stark Effect in Perovskite/TiO2 Solar Cells: Evidence of Local Interfacial Order (Articolo in rivista) (Prodotto della ricerca)
- Effect of sensitizer structure and TiO2 protonation on charge generation in dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Titanium dioxide nanomaterials for photovoltaic applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Effect of molecular fluctuations on hole diffusion within dye monolayers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Triphenylamine-functionalized corrole sensitizers for solar-cell applications (Articolo in rivista) (Prodotto della ricerca)
- Elusive presence of chloride in mixed halide perovskite solar cells (Articolo in rivista) (Prodotto della ricerca)
- Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation (Articolo in rivista) (Prodotto della ricerca)
- Functionalized Ruthenium Dialkynyl Complexes with High Second-Order Nonlinear Optical Properties and Good Potential as Dye Sensitizers for Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Novel Heteroleptic Ru(II) Complexes: Synthesis, Characterization and Application in Dye-Sensitized Solar Cells. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Dimethyldioxirane (Contributo in volume (capitolo o saggio)) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1201)