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Calculated Structural and Electronic Interactions of the Ruthenium Dye N3 with a Titanium Dioxide Nanocrystal

https://doi.org/10.1021/jp050513y
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Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles
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Comparison of Electron Transfer Dynamics in Molecule-to-Nanoparticle and Intramolecular Charge Transfer Complexes
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Interligand Electron Transfer Determines Triplet Excited State Electron Injection in RuN3−Sensitized TiO2 Films
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Anchoring Group and Auxiliary Ligand Effects on the Binding of Ruthenium Complexes to Nanocrystalline TiO2 Photoelectrodes
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Electronic Structure and Spectra of Catechol and Alizarin in the Gas Phase and Attached to Titanium
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Subpicosecond Interfacial Charge Separation in Dye-Sensitized Nanocrystalline Titanium Dioxide Films
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Measurement of Ultrafast Photoinduced Electron Transfer from Chemically Anchored Ru-Dye Molecules into Empty Electronic States in a Colloidal Anatase TiO2 Film
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Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations
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Electronic structures of quinizarin complexed with TiO2 clusters
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Photoelectrochemical cells
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Ultrafast Electron Localization Dynamics Following Photo-Induced Charge Transfer

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First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances
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The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces
inferred← citeshttps://doi.org/10.1021/jp0525282openalex-snapshot
Electronic and Molecular Surface Structure of Ru(tcterpy)(NCS)3 and Ru(dcbpy)2(NCS)2 Adsorbed from Solution onto Nanostructured TiO2: A Photoelectron Spectroscopy Study
inferred← citeshttps://doi.org/10.1021/jp0562882openalex-snapshot
STM Observation of a Ruthenium Dye Adsorbed on a TiO2(110) Surface
inferred← citeshttps://doi.org/10.1021/jp064045jopenalex-snapshot
Spacer and Anchor Effects on the Electronic Coupling in Ruthenium-bis-Terpyridine Dye-Sensitized TiO2 Nanocrystals Studied by DFT
inferred← citeshttps://doi.org/10.1021/jp064219xopenalex-snapshot
Calculated Optoelectronic Properties of Ruthenium Tris-bipyridine Dyes Containing Oligophenyleneethynylene Rigid Rod Linkers in Different Chemical Environments
inferred← citeshttps://doi.org/10.1021/jp064256oopenalex-snapshot
Characteristics of High Efficiency Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp073645vopenalex-snapshot
Photoinduced Electron Transfer in Dye-Sensitized Solar Cells: Modified Sakata−Hashimoto−Hiramoto Model (MSHH)
inferred← citeshttps://doi.org/10.1021/jp074349lopenalex-snapshot
Bi-isonicotinic Acid on Anatase (101): Insights from Theory
inferred← citeshttps://doi.org/10.1021/jp077065+openalex-snapshot
Work Function on Dye-Adsorbed TiO2 Surfaces Measured by Using a Kelvin Probe Force Microscope
inferred← citeshttps://doi.org/10.1021/jp100268ropenalex-snapshot
Protonation-Dependent Binding of Ruthenium Bipyridyl Complexes to the Anatase(101) Surface
inferred← citeshttps://doi.org/10.1021/jp100572fopenalex-snapshot
Computational Studies of the Interaction between Ruthenium Dyes and X− and X2−, X = Br, I, At. Implications for Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp103884copenalex-snapshot
Spin−Orbit Coupling and Metal−Ligand Interactions in Fe(II), Ru(II), and Os(II) Complexes
inferred← citeshttps://doi.org/10.1021/jp104335kopenalex-snapshot
Theoretical Study of Photoinduced Electron-Transfer Processes in the Dye−Semiconductor System Alizarin−TiO2
inferred← citeshttps://doi.org/10.1021/jp108917copenalex-snapshot
Insights into Working Principles of Ruthenium Polypyridyl Dye-Sensitized Solar Cells from First Principles Modeling
inferred← citeshttps://doi.org/10.1021/jp111949aopenalex-snapshot
Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models
inferred← citeshttps://doi.org/10.1021/jp207044aopenalex-snapshot
Influence of Triplet State Multidimensionality on Excited State Lifetimes of Bis-tridentate RuII Complexes: A Computational Study
inferred← citeshttps://doi.org/10.1021/jp209862sopenalex-snapshot
Coating TiO2 Anatase by Amorphous Al2O3: Effects on Dyes Anchoring Through Carboxyl Groups
inferred← citeshttps://doi.org/10.1021/jp210558xopenalex-snapshot
Evaluating Charge Recombination Rate in Dye-Sensitized Solar Cells from Electronic Structure Calculations
inferred← citeshttps://doi.org/10.1021/jp2109829openalex-snapshot
Electron-Deficient Pyrimidine Adopted in Porphyrin Sensitizers: A Theoretical Interpretation of π-Spacers Leading to Highly Efficient Photo-to-Electric Conversion Performances in Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp3006074openalex-snapshot
Theoretical Study of N749 Dyes Anchoring on the (TiO2)28 Surface in DSSCs and Their Electronic Absorption Properties
inferred← citeshttps://doi.org/10.1021/jp3025864openalex-snapshot
Adsorption of Dipyrrin-Based Dye Complexes on a Rutile TiO2(110) Surface
inferred← citeshttps://doi.org/10.1021/jp3053967openalex-snapshot
Efficient Light Harvesting and Charge Collection of Dye-Sensitized Solar Cells with (001) Faceted Single Crystalline Anatase Nanoparticles
inferred← citeshttps://doi.org/10.1021/jp3095227openalex-snapshot
Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges
inferred← citeshttps://doi.org/10.1021/jp3125445openalex-snapshot
Computational Insight on the Working Principles of Zinc Porphyrin Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp404572yopenalex-snapshot
X-ray Characterization of Dye Adsorption in Coadsorbed Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp4104855openalex-snapshot
Cluster Approach To Model Titanium Dioxide as Isolated or Organic Dye Sensitized Nanoobjects
inferred← citeshttps://doi.org/10.1021/jp5004006openalex-snapshot
Acetonitrile Solution Effect on Ru N749 Dye Adsorption and Excitation at TiO2 Anatase Interface
inferred← citeshttps://doi.org/10.1021/jp5004853openalex-snapshot
Effect of Sensitizer Structure and TiO2 Protonation on Charge Generation in Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp5075434openalex-snapshot
Possibility of NCS Group Anchor for Ru Dye Adsorption to Anatase TiO2(101) Surface: A Density Functional Theory Investigation
inferred← citeshttps://doi.org/10.1021/jp507746popenalex-snapshot
Computational Investigation of Acene-Modified Zinc-Porphyrin Based Sensitizers for Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/jp7118263openalex-snapshot
Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye−Semiconductor Systems with Different Anchor Groups
inferred← citeshttps://doi.org/10.1021/jp800426yopenalex-snapshot
Enhancement of the Performance of Dye-Sensitized Solar Cell by Formation of Shallow Transport Levels under Visible Light Illumination
inferred← citeshttps://doi.org/10.1021/jp903966nopenalex-snapshot
Interfacial Electron Transfer in TiO2Surfaces Sensitized with Ru(II)−Polypyridine Complexes
inferred← citeshttps://doi.org/10.1021/jp911214wopenalex-snapshot
Adsorption of Catechol on TiO2 Rutile (100): A Density Functional Theory Investigation
inferred← citeshttps://doi.org/10.1021/jp911663kopenalex-snapshot
First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO 2 Substrates for Dye-Sensitized Solar Cell Applications
inferred← citeshttps://doi.org/10.1021/jz200122ropenalex-snapshot
Visualizing Interfacial Charge Transfer in Ru-Dye-Sensitized TiO2 Nanoparticles Using X-ray Transient Absorption Spectroscopy
inferred← citeshttps://doi.org/10.1021/jz201583nopenalex-snapshot
Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface
inferred← citeshttps://doi.org/10.1021/la102468sopenalex-snapshot
Effect of Different Anchoring Groups on the Adsorption of Photoactive Compounds on the Anatase (101) Surface
inferred← citeshttps://doi.org/10.1021/la202598copenalex-snapshot
Determining the Orientation and Molecular Packing of Organic Dyes on a TiO2 Surface Using X-ray Reflectometry
inferred← citeshttps://doi.org/10.1021/la8010019openalex-snapshot
Scanning Tunneling Microscopy Study of Black Dye and Deoxycholic Acid Adsorbed on a Rutile TiO2(110)
inferred← citeshttps://doi.org/10.1021/la9007679openalex-snapshot
Large Footprint Pyrene Chromophores Anchored to Planar and Colloidal Metal Oxide Thin Films
inferred← citeshttps://doi.org/10.1021/nl061185wopenalex-snapshot
Towards Biocompatibility of RE 2 O 3 Nanocrystals − Water and Organic Molecules Chemisorbed on Gd 2 O 3 and Y 2 O 3 Nanocrystals Studied by Quantum-Chemical Computations
inferred← citeshttps://doi.org/10.1021/nl071835bopenalex-snapshot
Influence of the Sensitizer Adsorption Mode on the Open-Circuit Potential of Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1021/nl801644dopenalex-snapshot
Natural Dyes Adsorbed on TiO2 Nanowire for Photovoltaic Applications: Enhanced Light Absorption and Ultrafast Electron Injection
inferred← citeshttps://doi.org/10.1021/sc400183topenalex-snapshot
Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance
inferred← citeshttps://doi.org/10.1039/b809672dopenalex-snapshot
Advancing beyond current generation dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1039/b910880gopenalex-snapshot
Calculations of interfacial interactions in pyrene-Ipa rod sensitized nanostructured TiO2
inferred← citeshttps://doi.org/10.1039/c000474jopenalex-snapshot
Towards new efficient dye-sensitised solar cells
inferred← citeshttps://doi.org/10.1039/c0cc03312jopenalex-snapshot
A facile synthesis of anatase TiO 2 nanosheets-based hierarchical spheres with over 90% {001} facets for dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1039/c0jm04095aopenalex-snapshot
Effect of hydration of the TiO2 anatase (101) substrate on the atomic layer deposition of alumina films
inferred← citeshttps://doi.org/10.1039/c1ee01906fopenalex-snapshot
Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes
inferred← citeshttps://doi.org/10.1039/c2cp24105fopenalex-snapshot
Photosensitization of nanoparticulate TiO2 using a Re(i)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain
inferred← citeshttps://doi.org/10.1039/c2cp42350bopenalex-snapshot
Adsorption and electron injection of the N3 metal–organic dye on the TiO2 rutile (110) surface
inferred← citeshttps://doi.org/10.1039/c2ra21240dopenalex-snapshot
Light-harvesting and electronic contacting capabilities of Ru(ii) Ipa rod and star complexes–first principles predictions
inferred← citeshttps://doi.org/10.1039/c3cp53613kopenalex-snapshot
Thiocyanate-free cyclometalated ruthenium(ii) sensitizers for DSSC: A combined experimental and theoretical investigation
inferred← citeshttps://doi.org/10.1039/c3cp55336aopenalex-snapshot
Dye chemistry with time-dependent density functional theory
inferred← citeshttps://doi.org/10.1039/c3ra40702kopenalex-snapshot
Exploring the role of varied-length spacers in charge transfer: a theoretical investigation on pyrimidine-bridged porphyrin dyes
inferred← citeshttps://doi.org/10.1039/c3ta11571bopenalex-snapshot
Metal–phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films
inferred← citeshttps://doi.org/10.1039/c4cp00968aopenalex-snapshot
Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sensitized solar cells: the impacts of elongating π-spacers and rigidifying dithiophene
inferred← citeshttps://doi.org/10.1039/c4fd00036fopenalex-snapshot
Capturing interfacial photoelectrochemical dynamics with picosecond time-resolved X-ray photoelectron spectroscopy
inferred← citeshttps://doi.org/10.1039/c5ra06743jopenalex-snapshot
First principles study of ruthenium( ii ) sensitizer adsorption on anatase TiO 2 (001) surface
inferred← citeshttps://doi.org/10.1039/c6cp05535dopenalex-snapshot
Interfacial charge separation and photovoltaic efficiency in Fe( ii )–carbene sensitized solar cells
inferred← citeshttps://doi.org/10.1039/c6ra16173aopenalex-snapshot
The influence of a dye–TiO 2 interface on DSSC performance: a theoretical exploration with a ruthenium dye
inferred← citeshttps://doi.org/10.1039/c7ta07811kopenalex-snapshot
Pervasive infiltration and multi-branch chemisorption of N-719 molecules into newly designed spongy TiO 2 layers deposited by gig-lox sputtering processes
inferred← citeshttps://doi.org/10.1039/d0ta06016jopenalex-snapshot
Novel benzothiazole half-squaraines: model chromophores to study dye–TiO 2 interactions in dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1039/d1sc02963kopenalex-snapshot
Dye-sensitized solar cells based on Fe N-heterocyclic carbene photosensitizers with improved rod-like push-pull functionality
inferred← citeshttps://doi.org/10.1049/iet-rpg.2015.0114openalex-snapshot
Comparison between thin‐film solar cells and copper–indium–gallium–diselenide in Southeast Asia
inferred← citeshttps://doi.org/10.1063/1.2738066openalex-snapshot
Frontier electronic structures of Ru(tcterpy)(NCS)3 and Ru(dcbpy)2(NCS)2: A photoelectron spectroscopy study
inferred← citeshttps://doi.org/10.1063/1.3179752openalex-snapshot
Modeling ZnO phases using a periodic approach: From bulk to surface and beyond
inferred← citeshttps://doi.org/10.1063/1.3549573openalex-snapshot
Charge transfer dynamics of model charge transfer centers of a multicenter water splitting dye complex on rutile TiO2(110)
inferred← citeshttps://doi.org/10.1063/1.3637497openalex-snapshot
A single centre water splitting dye complex adsorbed on rutile TiO2(110): Photoemission, x-ray absorption, and optical spectroscopy
inferred← citeshttps://doi.org/10.1063/1.4738372openalex-snapshot
Ultrafast time resolved x-ray diffraction, extended x-ray absorption fine structure and x-ray absorption near edge structure
inferred← citeshttps://doi.org/10.1063/1.4746768openalex-snapshot
Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups
inferred← citeshttps://doi.org/10.1063/1.4770496openalex-snapshot
Experimental observation of sub-femtosecond charge transfer in a model water splitting dye-sensitized solar cell
inferred← citeshttps://doi.org/10.1063/1.4788617openalex-snapshot
Electronic structure of Fe- vs. Ru-based dye molecules
inferred← citeshttps://doi.org/10.1063/1.4900640openalex-snapshot
Investigation of the influence of coadsorbent dye upon the interfacial structure of dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1063/1.4966260openalex-snapshot
Ultrafast photoelectron migration in dye-sensitized solar cells: Influence of the binding mode and many-body interactions
inferred← citeshttps://doi.org/10.1063/5.0092864openalex-snapshot
Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials
inferred← citeshttps://doi.org/10.1088/0953-8984/20/6/064206openalex-snapshot
Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface
inferred← citeshttps://doi.org/10.1088/0953-8984/27/13/134202openalex-snapshot
Quantum dynamical simulation of photoinduced electron transfer processes in dye–semiconductor systems: theory and application to coumarin 343 at TiO2
inferred← citeshttps://doi.org/10.1088/0957-4484/19/42/424002openalex-snapshot
Alignment of the dye’s molecular levels with the TiO 2 band edges in dye-sensitized solar cells: a DFT–TDDFT study
inferred← citeshttps://doi.org/10.1088/0965-0393/18/2/025004openalex-snapshot
First principles study of the size effect of TiO2anatase nanoparticles in dye-sensitized solar cell
inferred← citeshttps://doi.org/10.1088/1674-0068/22/05/489-496openalex-snapshot
Density Functional Theory Study on Organic Dye Sensitizers Containing Bis-dimethylfluorenyl Amino Benzofuran
inferred← citeshttps://doi.org/10.1103/physrevb.84.245115openalex-snapshot
Electronic structure of dye-sensitized TiO 2 clusters from many-body perturbation theory
inferred← citeshttps://doi.org/10.1103/physrevlett.97.208301openalex-snapshot
Control of Electron Transfer Pathways in a Dye-Sensitized Solar Cell
inferred← citeshttps://doi.org/10.1117/12.681717openalex-snapshot
Quantum-chemical calculations of dye-sensitized semiconductor nanocrystals
inferred← citeshttps://doi.org/10.1134/s1063783407100320openalex-snapshot
On the donor-acceptor interaction and electron transfer at the titanium oxide-organic dye interface
inferred← citeshttps://doi.org/10.1146/annurev.physchem.58.052306.144054openalex-snapshot
Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO 2
inferred← citeshttps://doi.org/10.1149/1.2205168openalex-snapshot
Adsorption, Desorption, and Sensitization of Low-Index Anatase and Rutile Surfaces by the Ruthenium Complex Dye N3
inferred← citeshttps://doi.org/10.1149/1.3250958openalex-snapshot
Organized Mesoporous TiO[sub 2] Films Stabilized by Phosphorus: Application for Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.1186/s11671-021-03604-0openalex-snapshot
Effects of co-adsorption on interfacial charge transfer in a quantum dot@dye composite
inferred← citeshttps://doi.org/10.21577/0100-4042.20230133openalex-snapshot
DYE-SENSITIZED SOLAR CELLS (DSSC): AN APPROACH TO PRACTICE IN UNDERGRADUATE TEACHING
inferred← citeshttps://doi.org/10.22215/etd/2008-08081openalex-snapshot
Simulation of thin film titanium dye sensitized photovoltaic devices
inferred← citeshttps://doi.org/10.3390/en13113027openalex-snapshot
Density Functional Theory-Based Molecular Modeling: Verification of Decisive Roles of Van der Waals Aggregation of Triiodide Ions for Effective Electron Transfer in Wet-Type N3-Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.3390/en13184637openalex-snapshot
Double Linker Triphenylamine Dyes for Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.3390/nano10040662openalex-snapshot
Photoexcitation Processes in Oligomethine Cyanine Dyes for Dye-Sensitized Solar Cells—Synthesis and Computational Study
inferred← citeshttps://doi.org/10.3390/nano11061491openalex-snapshot
DFT and TD-DFT Investigation of a Charge Transfer Surface Resonance Raman Model of N3 Dye Bound to a Small TiO2 Nanoparticle
inferred← citeshttps://doi.org/10.3390/nano9030357openalex-snapshot
Structure and Electronic Properties of TiO2 Nanoclusters and Dye–Nanocluster Systems Appropriate to Model Hybrid Photovoltaic or Photocatalytic Applications
inferred← citeshttps://doi.org/10.4019/bjscc.54.52openalex-snapshot
Electronic-Structure Studies on Metal Complexes and Theoretical/Computational Chemistry for Molecular-Systems Design - Progress in Research on Dye-Sensitized Solar Cell -
inferred← citeshttps://doi.org/10.5075/epfl-thesis-3447openalex-snapshot
Effect of electronic and nuclear factors on the dynamics of dye-to-semiconductor electron transfer
inferred← citeshttps://doi.org/10.6084/m9.figshare.16650566openalex-snapshot
Additional file 1 of Effects of co-adsorption on interfacial charge transfer in a quantum dot@dye composite
inferred← citeshttps://doi.org/10.7282/t3dz08hhopenalex-snapshot
Electronic energy level alignment of dye molecules on TiO2 and ZnO surfaces for photovoltaic applications
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