Related references
Note: Only part of the references are listed.Direct Interfacial Electron Transfer from High-Potential Porphyrins into Semiconductor Surfaces: A Comparison of Linkers and Anchoring Groups
Jianbing Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Unveiling hole trapping and surface dynamics of NiO nanoparticles
Luca D'Amario et al.
CHEMICAL SCIENCE (2018)
Visible-Light-Driven Photocatalytic Water Oxidation by a π-Conjugated Donor Acceptor Donor-Chromophore/Catalyst Assembly
Yu Kyung Eom et al.
ACS ENERGY LETTERS (2018)
Porphyrin Sensitizers with Donor Structural Engineering for Superior Performance Dye-Sensitized Solar Cells and Tandem Solar Cells for Water Splitting Applications
Sung Ho Kang et al.
ADVANCED ENERGY MATERIALS (2017)
Light-Driven Water Splitting by a Covalently Linked Ruthenium-Based Chromophore-Catalyst Assembly
Benjamin D. Sherman et al.
ACS ENERGY LETTERS (2017)
Role of Solvent in the Energy Level Alignment of Dye-Sensitized NiO Interfaces
Simone Piccinin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Modeling the Photochrome-TiO2 Interface with Bethe-Salpeter and Time-Dependent Density Functional Theory Methods
Daniel Escudero et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Water splitting dye-sensitized solar cells
Pengtao Xu et al.
NANO TODAY (2017)
Metalloporphyrin-modified semiconductors for solar fuel production
D. Khusnutdinova et al.
CHEMICAL SCIENCE (2017)
Recent advances and insights in dye-sensitized NiO photocathodes for photovoltaic devices
Vasilis Nikolaou et al.
JOURNAL OF MATERIALS CHEMISTRY A (2017)
Water-oxidation photoanodes using organic light-harvesting materials: a review
Joel T. Kirner et al.
JOURNAL OF MATERIALS CHEMISTRY A (2017)
Dye-sensitized photocathodes for H2 evolution
Elizabeth A. Gibson
CHEMICAL SOCIETY REVIEWS (2017)
Mechanisms of molecular water oxidation in solution and on oxide surfaces
Thomas J. Meyer et al.
CHEMICAL SOCIETY REVIEWS (2017)
Sensitization of Nanocrystalline Metal Oxides with a Phosphonate-Functionalized Perylene Diimide for Photoelectrochemical Water Oxidation with a CoOx Catalyst
Joel T. Kirner et al.
ACS APPLIED MATERIALS & INTERFACES (2017)
Ultrafast Electron Dynamics in Solar Energy Conversion
Carlito S. Ponseca et al.
CHEMICAL REVIEWS (2017)
Heptacoordinate CoII Complex: A New Architecture for Photochemical Hydrogen Production
Fiorella Lucarini et al.
CHEMISTRY-A EUROPEAN JOURNAL (2017)
Large-scale GW-BSE calculations with N3 scaling: Excitonic effects in dye-sensitized solar cells
Margherita Marsili et al.
PHYSICAL REVIEW B (2017)
First Principle Modelling of Materials and Processes in Dye-Sensitized Photoanodes for Solar Energy and Solar Fuels
Mariachiara Pastore
COMPUTATION (2017)
Metal-complex chromophores for solar hydrogen generation
Yong-Jun Yuan et al.
CHEMICAL SOCIETY REVIEWS (2017)
Singly versus Doubly Reduced Nickel Porphyrins for Proton Reduction: Experimental and Theoretical Evidence for a Homolytic Hydrogen-Evolution Reaction
Yongzhen Han et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Visible light-driven water oxidation with a subporphyrin sensitizer and a water oxidation catalyst
Masanori Yamamoto et al.
CHEMICAL COMMUNICATIONS (2016)
Dye-Sensitized Solar Hydrogen Production: The Emerging Role of Metal-Free Organic Sensitizers
Bianca Cecconi et al.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2016)
Benchmarking DFT and semi-empirical methods for a reliable and cost-efficient computational screening of benzofulvene derivatives as donor materials for small-molecule organic solar cells
Sara Tortorella et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2016)
Finding the Way to Solar Fuels with Dye-Sensitized Photoelectrosynthesis Cells
M. Kyle Brennaman et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
A Dye-Sensitized Photoelectrochemical Tandem Cell for Light Driven Hydrogen Production from Water
Benjamin D. Sherman et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Covalent Design for Dye-Sensitized H2-Evolving Photocathodes Based on a Cobalt Diimine-Dioxime Catalyst
Nicolas Kaeffer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Ultrafast Electron Transfer Between Dye and Catalyst on a Mesoporous NiO Surface
Allison M. Brown et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Interfacial charge separation and photovoltaic efficiency in Fe(II)-carbene sensitized solar cells
Mariachiara Pastore et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Structural and electronic properties of dye-sensitized TiO2 for solar cell applications: from single molecules to self-assembled monolayers
Mariachiara Pastore et al.
JOURNAL OF MATERIALS CHEMISTRY C (2016)
Evaluation of Chromophore and Assembly Design in Light-Driven Water Splitting with a Molecular Water Oxidation Catalyst
Matthew V. Sheridan et al.
ACS ENERGY LETTERS (2016)
Photoelectrochemical Cells Utilizing Tunable Corroles
Bradley J. Brennan et al.
ACS APPLIED MATERIALS & INTERFACES (2015)
Fabrication of a high-performance dye-sensitized solar cell with 12.8% conversion efficiency using organic silyl-anchor dyes
Kenji Kakiage et al.
CHEMICAL COMMUNICATIONS (2015)
Effect of the anchoring group in the performance of carbazole-phenothiazine dyads for dye-sensitized solar cells
Kankatala S. V. Gupta et al.
DYES AND PIGMENTS (2015)
Recent advances in dye-sensitized photoelectrochemical cells for solar hydrogen production based on molecular components
Ze Yu et al.
ENERGY & ENVIRONMENTAL SCIENCE (2015)
Role of a Carboxyl Group in the Adsorption of Zn Porphyrins on TiO2(011)-2x1 Surface
Piotr Olszowski et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Organic Dye-Sensitized Tandem Photoelectrochemical Cell for Light Driven Total Water Splitting
Fusheng Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Modification of Nanocrystalline WO3 with a Dicationic Perylene Bisimide: Applications to Molecular Level Solar Water Splitting
Federico Ronconi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
First-Principles Modeling of a Dye-Sensitized TiO2/IrO2 Photoanode for Water Oxidation
Mariachiara Pastore et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Donor/Acceptor Indenoperylene Dye for Highly Efficient Organic Dye-Sensitized Solar Cells
Zhaoyang Yao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Metal-free organic sensitizers for use in water-splitting dye-sensitized photoelectrochemical cells
John R. Swierk et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
Titanium Dioxide Nanomaterials for Photovoltaic Applications
Yu Bai et al.
CHEMICAL REVIEWS (2014)
Artificial Photosynthesis: Molecular Systems for Catalytic Water Oxidation
Markus D. Karkas et al.
CHEMICAL REVIEWS (2014)
High-Performance Photoelectrochemical Cells Based on a Binuclear Ruthenium Catalyst for Visible-Light-Driven Water Oxidation
Linlin Zhang et al.
CHEMSUSCHEM (2014)
Effect of Sensitizer Structure and TiO2 Protonation on Charge Generation in Dye-Sensitized Solar Cells
Enrico Ronca et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers
Simon Mathew et al.
NATURE CHEMISTRY (2014)
Computational modeling of single-versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic properties
Joaquin Calbo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Novel Carbazole-Phenothiazine Dyads for Dye-Sensitized Solar Cells: A Combined Experimental and Theoretical Study
Gabriele Marotta et al.
ACS APPLIED MATERIALS & INTERFACES (2013)
Design and development of photoanodes for water-splitting dye-sensitized photoelectrochemical cells
John R. Swierk et al.
CHEMICAL SOCIETY REVIEWS (2013)
Molecular Design Principle of All-organic Dyes for Dye-Sensitized Solar Cells
Bong-Gi Kim et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Energy-level alignment in organic dye-sensitized TiO2 from GW calculations
P. Umari et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges
Mariachiara Pastore et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Visible Light Driven Water Splitting in a Molecular Device with Unprecedentedly High Photocurrent Density
Yan Gao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
First-Principles Modeling of Dye-Sensitized Solar Cells: Challenges and Perspectives
Frederic Labat et al.
ACCOUNTS OF CHEMICAL RESEARCH (2012)
Computational Investigations on Organic Sensitizers for Dye-Sensitized Solar Cells
Mariachiara Pastore et al.
CURRENT ORGANIC SYNTHESIS (2012)
What Is the Best Anchoring Group for a Dye in a Dye-Sensitized Solar Cell?
Francesco Ambrosio et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO
Simona Fantacci et al.
COORDINATION CHEMISTRY REVIEWS (2011)
A visible light water-splitting cell with a photoanode formed by codeposition of a high-potential porphyrin and an iridium water-oxidation catalyst
Gary F. Moore et al.
ENERGY & ENVIRONMENTAL SCIENCE (2011)
The lowest singlet states of octatetraene revisited
Celestino Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Injection Limitations in a Series of Porphyrin Dye-Sensitized Solar Cells
Tracy Dos Santos et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues
Mariachiara Pastore et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Ab Initio Determination of Ground and Excited State Oxidation Potentials of Organic Chromophores for Dye-Sensitized Solar Cells
Mariachiara Pastore et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Highly efficient photocathodes for dye-sensitized tandem solar cells
A. Nattestad et al.
NATURE MATERIALS (2010)
Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure: Property Relationships to Design Rules
Amaresh Mishra et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2
Walter R. Duncan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Assessment of a long-range corrected hybrid functional
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Influence of the exchange screening parameter on the performance of screened hybrid functionals
Aliaksandr V. Krukau et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Development of density functionals for thermochemical kinetics
AD Boese et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Efficient hybrid density functional calculations in solids: Assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Quantum dynamics simulations of interfacial electron transfer in sensitized TiO2 semiconductors
LGC Rego et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Chemistry with ADF
G te Velde et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)
Adiabatic connection for kinetics
BJ Lynch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)