Porphyrin adsorbed on the (101̄0) surface of the wurtzite structure of ZnO – conformation induced effects on the electron transfer characteristics

Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes

(2013) Tobias Risthaus et al.   Journal of Chemical Theory and Computation

Accurate pseudopotential description of the GW bandstructure of ZnO

(2011) H. Dixit et al.   COMPUTER PHYSICS COMMUNICATIONS

Self-Assembled Porphyrins on Modified Zinc Oxide Nanorods: Development of Model Systems for Inorganic–Organic Semiconductor Interface Studies

(2011) Hanna Saarenpää et al.   Journal of Physical Chemistry C

Theoretical Procedure for Optimizing Dye-Sensitized Solar Cells: From Electronic Structure to Photovoltaic Efficiency

(2011) Tangui Le Bahers et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determining the Orientation and Molecular Packing of Organic Dyes on a TiO2Surface Using X-ray Reflectometry

(2011) Matthew J. Griffith et al.   LANGMUIR

Nanoforest of Hydrothermally Grown Hierarchical ZnO Nanowires for a High Efficiency Dye-Sensitized Solar Cell

(2011) Seung Hwan Ko et al.   NANO LETTERS

First-principles study of surface plasmons on Ag(111) and H/Ag(111)

(2011) Jun Yan et al.   PHYSICAL REVIEW B

Hybrid density functional study of oligothiophene/ZnO interface for photovoltaics

(2011) Na Sai et al.   PHYSICAL REVIEW B

Electrostatic-Field-Driven Alignment of Organic Oligomers on ZnO Surfaces

(2011) F. Della Sala et al.   PHYSICAL REVIEW LETTERS

Porphyrin-Sensitized Solar Cells with Cobalt (II/III)-Based Redox Electrolyte Exceed 12 Percent Efficiency

(2011) A. Yella et al.   SCIENCE

Polymer-Templated Hydrothermal Growth of Vertically Aligned Single-Crystal ZnO Nanorods and Morphological Transformations Using Structural Polarity

(2010) Ki Seok Kim et al.   ADVANCED FUNCTIONAL MATERIALS

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

Porphyrins as molecular electronic components of functional devices

(2010) Matthew Jurow et al.   COORDINATION CHEMISTRY REVIEWS

Development of a wet chemical method for the synthesis of arrayed ZnO nanorods

(2010) Shao-Hwa Hu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids

(2010) O. Anatole von Lilienfeld et al.   JOURNAL OF CHEMICAL PHYSICS

Shape of the Q band in the absorption spectra of porphyrin nanotubes: Vibronic coupling or exciton effects?

(2010) Anna Stradomska et al.   JOURNAL OF CHEMICAL PHYSICS

Photoinduced Charge Carrier Dynamics of Zn−Porphyrin−TiO2Electrodes: The Key Role of Charge Recombination for Solar Cell Performance

(2010) Hiroshi Imahori et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Simple Approach to Hybrid Polymer/Porous Metal Oxide Solar Cells from Solution-Processed ZnO Nanocrystals

(2010) Johann Bouclé et al.   Journal of Physical Chemistry C

Dynamics of Interfacial Charge Transfer Emission in Small Molecule Sensitized TiO2 Nanoparticles: Is It Localized or Delocalized?

(2010) Shankar Varaganti et al.   Journal of Physical Chemistry C

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The spectroscopy of jet-cooled porphyrins: an insight into the vibronic structure of the Q band

(2010) Joseph M. Beames et al.   JOURNAL OF PORPHYRINS AND PHTHALOCYANINES

Porphyrins and phthalocyanines in solar photovoltaic cells

(2010) Michael G. Walter et al.   JOURNAL OF PORPHYRINS AND PHTHALOCYANINES

Chemical sensitivity of porphyrin assemblies

(2010) Corrado Di Natale et al.   Materials Today

Kohn-Sham potential with discontinuity for band gap materials

(2010) M. Kuisma et al.   PHYSICAL REVIEW B

Large π-Aromatic Molecules as Potential Sensitizers for Highly Efficient Dye-Sensitized Solar Cells

(2009) Hiroshi Imahori et al.   ACCOUNTS OF CHEMICAL RESEARCH

Recent Advances in Sensitized Mesoscopic Solar Cells

(2009) Michael Grätzel   ACCOUNTS OF CHEMICAL RESEARCH

Understanding the Electronic Structure of Metal/SAM/Organic−Semiconductor Heterojunctions

(2009) Ferdinand Rissner et al.   ACS Nano

Thin-Film Organic Electronic Devices

(2009) Howard E. Katz et al.   Annual Review of Materials Research

Covalent functionalization of ZnO surfaces: A density functional tight binding study

(2009) Ney H. Moreira et al.   APPLIED PHYSICS LETTERS

Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic Applications

(2009) Dmitri V. Talapin et al.   CHEMICAL REVIEWS

Modeling ZnO phases using a periodic approach: From bulk to surface and beyond

(2009) Frédéric Labat et al.   JOURNAL OF CHEMICAL PHYSICS

First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances

(2009) Frédéric Labat et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Calculations of ZnO properties using the Heyd-Scuseria-Ernzerhof screened hybrid density functional

(2009) Jan Wróbel et al.   PHYSICAL REVIEW B

Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective

(2009) Oleg V. Prezhdo et al.   PROGRESS IN SURFACE SCIENCE

Fundamentals of zinc oxide as a semiconductor

(2009) Anderson Janotti et al.   REPORTS ON PROGRESS IN PHYSICS

Ab initio calculations of NO2 and SO2 chemisorption onto non-polar ZnO surfaces

(2009) J.D. Prades et al.   SENSORS AND ACTUATORS B-CHEMICAL

Adsorption of NO and NO2 on the ZnO() surface: A DFT study

(2009) M. Breedon et al.   SURFACE SCIENCE

Surface-Confined Coordination Chemistry with Porphyrins and Phthalocyanines: Aspects of Formation, Electronic Structure, and Reactivity

(2009) Michael Gottfried et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Vertically-aligned nanostructures of ZnO for excitonic solar cells: a review

(2008) Irene Gonzalez-Valls et al.   Energy & Environmental Science

Time-dependent density-functional theory in the projector augmented-wave method

(2008) Michael Walter et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initiodescription of photoabsorption and electron transfer in a doubly-linked porphyrin-fullerene dyad

(2008) Oana Cramariuc et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces

(2008) N. L. Marana et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Band structure of ZnO from resonant x-ray emission spectroscopy

(2008) A. R. H. Preston et al.   PHYSICAL REVIEW B