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A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO

Coordination chemistry reviews, 2011-11, Vol.255 (21), p.2704-2726

2011

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Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials

Chemical reviews, 2014-10, Vol.114 (19), p.9708-9753

2014

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Ab Initio Determination of Ground and Excited State Oxidation Potentials of Organic Chromophores for Dye-Sensitized Solar Cells

Journal of physical chemistry. C, 2010-12, Vol.114 (51), p.22742-22750

2010

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Electronic and Optical Properties of the Spiro-MeOTAD Hole Conductor in Its Neutral and Oxidized Forms: A DFT/TDDFT Investigation

Journal of physical chemistry. C, 2011-11, Vol.115 (46), p.23126-23133

2011

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Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption

The journal of physical chemistry letters, 2011-04, Vol.2 (7), p.813-817

2011

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The Versatile Photo-Thermal Behaviour of a 2-Hydroxyazobenzene

Molecules (Basel, Switzerland), 2023-01, Vol.28 (3), p.1183

2023

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

Journal of physical chemistry. C, 2011-05, Vol.115 (17), p.8825-8831

2011

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Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers

Journal of the American Chemical Society, 2005-12, Vol.127 (48), p.16835-16847

2005

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Towards efficient sustainable full-copper dye-sensitized solar cells

Dalton transactions : an international journal of inorganic chemistry, 2019-07, Vol.48 (26), p.973-9711

2019

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Modelling the Interaction between Carboxylic Acids and Zinc Oxide: Insight into Degradation of ZnO Pigments

Molecules (Basel, Switzerland), 2022-05, Vol.27 (11), p.3362

2022

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Influence of the Sensitizer Adsorption Mode on the Open-Circuit Potential of Dye-Sensitized Solar Cells

Nano letters, 2007-10, Vol.7 (10), p.3189-3195

2007

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Molecular Engineering of Organic Sensitizers for Solar Cell Applications

Journal of the American Chemical Society, 2006-12, Vol.128 (51), p.16701-16707

2006

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Impact of Spin–Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells

The journal of physical chemistry letters, 2014-01, Vol.5 (2), p.375-380

2014

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Time-Dependent Density Functional Theory Investigations on the Excited States of Ru(II)-Dye-Sensitized TiO2 Nanoparticles: The Role of Sensitizer Protonation

Journal of the American Chemical Society, 2007-11, Vol.129 (46), p.14156-14157

2007

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Absorption Spectrum and Solvatochromism of the [Ru(4,4‘-COOH-2,2‘-bpy)2(NCS)2] Molecular Dye by Time Dependent Density Functional Theory

Journal of the American Chemical Society, 2003-04, Vol.125 (14), p.4381-4387

2003

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

Inorganic chemistry, 2011-01, Vol.50 (2), p.451-462

2011

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Computational Chemistry Meets Cultural Heritage: Challenges and Perspectives

Accounts of chemical research, 2010-06, Vol.43 (6), p.802-813

2010

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Synthesis, Characterization, and DFT/TD-DFT Calculations of Highly Phosphorescent Blue Light-Emitting Anionic Iridium Complexes

Inorganic chemistry, 2008-02, Vol.47 (3), p.980-989

2008

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Electronic Transitions Involved in the Absorption Spectrum and Dual Luminescence of Tetranuclear Cubane [Cu4I4(pyridine)4] Cluster: a Density Functional Theory/Time-Dependent Density Functional Theory Investigation

Inorganic chemistry, 2006-12, Vol.45 (26), p.10576-10584

2006

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Controlling Phosphorescence Color and Quantum Yields in Cationic Iridium Complexes: A Combined Experimental and Theoretical Study

Inorganic chemistry, 2007-07, Vol.46 (15), p.5989-6001

2007

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New insights into the deterioration of TiO2 based oil paints: the effects of illumination conditions and surface interactions

Heritage science, 2022-06, Vol.10 (1), p.1-16, Article 99

2022

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The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices

Inorganic chemistry, 2007-10, Vol.46 (21), p.8533-8547

2007

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Time-dependent density functional theory study of the absorption spectrum of [Ru(4,4 ′-COOH-2,2 ′-bpy) 2(NCS) 2] in water solution: influence of the pH

Chemical physics letters, 2004-05, Vol.389 (1), p.204-208

2004

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White-light phosphorescence emission from a single molecule: application to OLED

Chemical communications (Cambridge, England), 2009-01 (31), p.4672-4674

2009

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A Chiral Bis(salicylaldiminato)zinc(II) Complex with Second-Order Nonlinear Optical and Luminescent Properties in Solution

Inorganics, 2020-04, Vol.8 (4), p.25

2020

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A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO

Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials

Ab Initio Determination of Ground and Excited State Oxidation Potentials of Organic Chromophores for Dye-Sensitized Solar Cells

Electronic and Optical Properties of the Spiro-MeOTAD Hole Conductor in Its Neutral and Oxidized Forms: A DFT/TDDFT Investigation

Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption

The Versatile Photo-Thermal Behaviour of a 2-Hydroxyazobenzene

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

Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers

Towards efficient sustainable full-copper dye-sensitized solar cells

Modelling the Interaction between Carboxylic Acids and Zinc Oxide: Insight into Degradation of ZnO Pigments

Influence of the Sensitizer Adsorption Mode on the Open-Circuit Potential of Dye-Sensitized Solar Cells

Molecular Engineering of Organic Sensitizers for Solar Cell Applications

Impact of Spin–Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells

Time-Dependent Density Functional Theory Investigations on the Excited States of Ru(II)-Dye-Sensitized TiO2 Nanoparticles: The Role of Sensitizer Protonation

Absorption Spectrum and Solvatochromism of the [Ru(4,4‘-COOH-2,2‘-bpy)2(NCS)2] Molecular Dye by Time Dependent Density Functional Theory

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

Computational Chemistry Meets Cultural Heritage: Challenges and Perspectives

Synthesis, Characterization, and DFT/TD-DFT Calculations of Highly Phosphorescent Blue Light-Emitting Anionic Iridium Complexes

Electronic Transitions Involved in the Absorption Spectrum and Dual Luminescence of Tetranuclear Cubane [Cu4I4(pyridine)4] Cluster: a Density Functional Theory/Time-Dependent Density Functional Theory Investigation

Controlling Phosphorescence Color and Quantum Yields in Cationic Iridium Complexes: A Combined Experimental and Theoretical Study

New insights into the deterioration of TiO2 based oil paints: the effects of illumination conditions and surface interactions

The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices

Time-dependent density functional theory study of the absorption spectrum of [Ru(4,4 ′-COOH-2,2 ′-bpy) 2(NCS) 2] in water solution: influence of the pH

White-light phosphorescence emission from a single molecule: application to OLED

A Chiral Bis(salicylaldiminato)zinc(II) Complex with Second-Order Nonlinear Optical and Luminescent Properties in Solution

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