Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD-DFT study
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January 2017 |
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes
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March 2015 |
Theoretical study on the light harvesting efficiency of zinc porphyrin sensitizers for DSSCs
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January 2014 |
Van der Waals density functionals applied to solids
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May 2011 |
Ab Initio Studies of Anatase TiO2 (101) Surface-supported Au8 Clusters
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June 2015 |
Dye-Sensitized Solar Cells
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November 2010 |
DFT and TD-DFT study on structure and properties of organic dye sensitizer TA-St-CA
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January 2010 |
Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment
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January 2012 |
The effects of macrocycle and anchoring group replacements on the performance of porphyrin based sensitizer: DFT and TD-DFT study
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January 2015 |
Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges
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January 2013 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Molecular design of ruthenium(II) polypyridyl photosensitizers for efficient nanocrystalline TiO2 solar cells
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June 2003 |
Chemical accuracy for the van der Waals density functional
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December 2009 |
Modeling Dye-Sensitized Solar Cells: From Theory to Experiment
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March 2013 |
Theoretical study and design of triphenylamine-malononitrile-based p-type organic dyes with different π-linkers for dyes-sensitized solar cells
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September 2014 |
A fast and robust algorithm for Bader decomposition of charge density
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June 2006 |
Efficiencies of Electron Injection from Excited N3 Dye into Nanocrystalline Semiconductor (ZrO 2 , TiO 2 , ZnO, Nb 2 O 5 , SnO 2 , In 2 O 3 ) Films
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April 2004 |
Metal-free organic dyes for TiO2 and ZnO dye-sensitized solar cells
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January 2016 |
Plasmonic Dye-Sensitized Solar Cells
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December 2010 |
Thieno[2,3-b]indole-based organic dyes for dye-sensitized solar cells: Effect of π-linker on the performance of isolated dye and interface between dyes and TiO2
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November 2016 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Power Conversion Efficiency of Arylamine Organic Dyes for Dye-Sensitized Solar Cells (DSSCs) Explicit to Cobalt Electrolyte: Understanding the Structural Attributes Using a Direct QSPR Approach
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December 2016 |
Quantitative structure-property relationship model leading to virtual screening of fullerene derivatives: Exploring structural attributes critical for photoconversion efficiency of polymer solar cell acceptors
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August 2016 |
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
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July 2004 |
Chalcogenophene Comonomer Comparison in Small Band Gap Diketopyrrolopyrrole-Based Conjugated Polymers for High-Performing Field-Effect Transistors and Organic Solar Cells
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January 2015 |
Structural and electronic properties of dye-sensitized TiO 2 for solar cell applications: from single molecules to self-assembled monolayers
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January 2016 |
Improvement of dye-sensitized solar cells: what we know and what we need to know
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January 2010 |
Electron injection efficiency in dye-sensitized solar cells
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September 2014 |
In silico designing of power conversion efficient organic lead dyes for solar cells using todays innovative approaches to assure renewable energy for future
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June 2017 |
Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure: Property Relationships to Design Rules
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March 2009 |
Dye Regeneration Kinetics in Dye-Sensitized Solar Cells
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October 2012 |
Multiwfn: A multifunctional wavefunction analyzer
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December 2011 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Correlation between the Vibrational Frequencies of the Carboxylate Group and the Types of Its Coordination to a Metal Ion: An ab Initio Molecular Orbital Study
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January 1996 |
Analysis of the Origin of Open Circuit Voltage in Dye Solar Cells
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June 2012 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
The Mechanism of Iodine Reduction by TiO 2 Electrons and the Kinetics of Recombination in Dye-Sensitized Solar Cells
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July 2012 |
Influence of the dye molecular structure on the TiO 2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects
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January 2013 |
Diketopyrrolopyrrole Polymers for Organic Solar Cells
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December 2015 |
Molecular design of organic dyes with diketopyrrolopyrrole for dye-sensitized solar cell: A theoretical approach
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February 2014 |
Diketopyrrolopyrroles: Synthesis, Reactivity, and Optical Properties
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January 2015 |
Natural Dyes Adsorbed on TiO 2 Nanowire for Photovoltaic Applications: Enhanced Light Absorption and Ultrafast Electron Injection
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October 2008 |
A method to rapidly predict the charge injection rate in dye sensitized solar cells
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January 2010 |
Metal-Free Tetrathienoacene Sensitizers for High-Performance Dye-Sensitized Solar Cells
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March 2015 |
Computational Investigation of Acene-Modified Zinc-Porphyrin Based Sensitizers for Dye-Sensitized Solar Cells
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April 2015 |
Electron correlations in narrow energy bands
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November 1963 |
Interfacial Charge Transfer in Dye-Sensitized Solar Cells Using SCN-Free Terpyridine-Coordinated Ru Complex Dye and Co Complex Redox Couples
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June 2016 |
Recent developments in tetrathiafulvalene and dithiafulvalene based metal-free organic sensitizers for dye-sensitized solar cells: a mini-review
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January 2017 |
Recent Advances in Sensitized Mesoscopic Solar Cells
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November 2009 |
A Qualitative Index of Spatial Extent in Charge-Transfer Excitations
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July 2011 |
Novel polyene dyes for highly efficient dye-sensitized solar cells
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December 2002 |
Photovoltage Improvement for Dye-Sensitized Solar Cells via Cone-Shaped Structural Design
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May 2009 |
A Review on Current Status of Stability and Knowledge on Liquid Electrolyte-Based Dye-Sensitized Solar Cells
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November 2014 |
Photoactive layer based on T-shaped benzimidazole dyes used for solar cell: from photoelectric properties to molecular design
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March 2017 |
DFT+ U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO 2 polymorphs
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August 2011 |
First-principles study of nickel complex with 1,3-dithiole-2-thione-4,5-dithiolate ligands as model photosensitizers
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May 2017 |
Novel Polyene Dyes for Highly Efficient Dye-Sensitized Solar Cells
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April 2003 |
Parallel Nanoimprint Forming of One-Dimensional Chiral Semiconductor for Strain-Engineered Optical Properties
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August 2020 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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May 2021 |
High-resolution X-ray luminescence extension imaging
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February 2021 |
Chemical accuracy for the van der Waals density functional
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preprint
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January 2009 |
Van der Waals density functionals applied to solids
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text
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January 2011 |
Structural dynamics of basaltic melt at mantle conditions with implications for magma oceans and superplumes
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September 2020 |
The real TiO 2 /HTM interface of solid-state dye solar cells: role of trapped states from a multiscale modelling perspective
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January 2015 |
Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries -- the impact of the computational scheme
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preprint
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January 2020 |
Van der Waals Density Functional for General Geometries
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text
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January 2004 |