skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electronic and optical properties of polypyridylruthenium derivatized polystyrenes: multi-level computational analysis of metallo-polymeric chromophore assemblies

Journal Article · · Phys. Chem. Chem. Phys.
DOI:https://doi.org/10.1039/C4CP04043K· OSTI ID:1210370

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for Solar Fuels (UNC EFRC)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0001011
OSTI ID:
1210370
Journal Information:
Phys. Chem. Chem. Phys., Vol. 17 (3); Related Information: UNC partners with University of North Carolina (lead); Duke University; University of Florida; Georgia Institute of Technology; University; North Carolina Central University; Research Triangle Institute
Country of Publication:
United States
Language:
English

References (25)

Powering the planet: Chemical challenges in solar energy utilization journal October 2006
Photocatalytic Water Splitting: Recent Progress and Future Challenges journal September 2010
Chemical approaches to artificial photosynthesis journal September 2012
The Artificial Leaf journal January 2012
Artificial photosynthesis as a frontier technology for energy sustainability journal January 2013
Dye-Sensitized Solar Cells journal November 2010
Interfacial Dynamics and Solar Fuel Formation in Dye-Sensitized Photoelectrosynthesis Cells journal June 2012
Ultrafast Formation of a Long-Lived Charge-Separated State in a Ru-Loaded Poly(3-hexylthiophene) Light-Harvesting Polymer journal June 2013
Atom Transfer Radical Polymerization Preparation and Photophysical Properties of Polypyridylruthenium Derivatized Polystyrenes journal July 2013
Ultrafast Excited-State Energy Migration Dynamics in an Efficient Light-Harvesting Antenna Polymer Based on Ru(II) and Os(II) Polypyridyl Complexes journal October 2001
Poly(fluorene-co-thiophene)-based ionic transition-metal complex polymers for solar energy harvesting and storage applications journal January 2014
[Ru(bpy)3]2+* and other remarkable metal-to-ligand charge transfer (MLCT) excited states journal June 2013
PNA versus DNA: Effects of Structural Fluctuations on Electronic Structure and Hole-Transport Mechanisms journal September 2008
Nucleic acid charge transfer: Black, white and gray journal April 2011
Materials-Scale Implications of Solvent and Temperature on [6,6]-Phenyl-C61-butyric Acid Methyl Ester (PCBM): A Theoretical Perspective journal June 2013
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations journal December 1992
Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction journal February 1992
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals journal January 1985
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi journal January 1985
An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines journal January 1973
Solvent Effects on Molecular and Ionic Spectra. 7. Modeling the Absorption and Electroabsorption Spectra of Pentaammine- ruthenium(II) Pyrazine and Its Conjugate Acid in Water journal January 1996
Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods journal October 2001
Ruthenium d-orbital delocalization in bis(bipyridine)ruthenium derivatives of redox active quinonoid ligands journal August 2002
Relation between Microstructure and Charge Transport in Polymers of Different Regioregularity journal September 2011
A numerical study of mobility in thin films of fullerene derivatives journal February 2010