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News
- (23-11-2009) Submission of
poster abstracts and online pre-registration.
- (09-11-2009) The deadlines have changed. Please see the Important Dates section.
- (28-10-2009) Speakers abstract are available. Please see List of Speakers and Program sections.
- (28-09-2009) Submission of
poster abstracts and online pre-registration.
Objective
The international workshop "Molecular
Photoreactivity on Metal-Oxide
Surfaces from First-Principles: Photo-catalysis and
Photovoltaics" is
intended to bring together scientists from around the world, either to
present the latest advances of their research in the field or, research
from related areas (e.g., molecular photoreactivity and electronic
structure methods in gas-phase and gas/metal interfaces). Although the conference has a
fundamental theoretical character, experimentalists are also invited to
participate, to highlight problems that might stimulate the development
of new (first-principles) methodological strategies and combined
experimental/theoretical studies of model systems. The main
session of the meeting will be dedicated to electronic structure
methodologies/strategies and computational methods to "attack" the
problem of calculating excited states of molecule/metal-oxide surfaces
and interfaces, including Local
Correlation-Cluster (LCC) approaches,
Time Dependent Density
Functional Theory (TDDFT) based treatments, or ab-initio Molecular Dynamics (MD)
techniques. Special topics will include electronic charge transfer
processes (e.g., the electron injection mechanism) in
dye-sensitivized
semiconductors (such as TiO2),
novel deposition treatments on the
surface of nano-particles or nano-structured surface metal-oxides
(e.g., using helium nanodroplets), and quantum control
techniques to
address selectively the outcome of photo-reactions on metal-oxide
surfaces.
Marķa Pilar de Lara Castells (delara@imaff.cfmac.csic.es) Workshop Coordinator
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