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Excited-State Dynamics of Molecular Solar Thermal Fuels

Objective

Sustainable energy generation, conversion and storage are among
the most challenging goals of this century. DynaMOST is concerned
with MOlecular Solar Thermal (MOST) energy storage and release
systems that can convert solar energy into chemical energy.
Currently, very few MOST organic and organometallic systems are
reported in the literature. Few simple yet elegant approaches are
applied to improve their storage capacity and applicability.
They rely on mostly trial-and-error variations of metals, alkyl
chains, and photoactive units. Advance is hampered by the lack
of mechanistic studies, particularly molecular-level information
after light excitation. The ambitious goal of DynaMOST is to unravel
the fundamental working principles of several MOST pushing ab initio
dynamics simulations and quantum chemical methods beyond the
state-of-the-art. Systems to study include dimeric transition
metal complexes and large organic cyclophanes, which have demanding
electronic structures and routine methodological techniques cannot
be readily applied. Ultimately, DynaMOST is expected to deliver a
rationale for designing new and efficient MOST systems.
The experienced researcher will transfer knowledge in the transition
metal chemistry, reaction mechanisms, and theoretical spectroscopy
to the host group, and gain expertise in emerging quantum chemical
methods and time-resolved chemical phenomena. A cross-sectoral workshop
will increase the researcher's and host's networks. DynaMOST will
provide the applicant with the basis to pursue an independent career,
a unique and highly competitive research profile, excellent training,
an increased scientific network and a comprehensive box of soft but
essential skills, such as communication, management, dissemination
and public engagement skills.

Fields of science (EuroSciVoc)

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Coordinator

UNIVERSITAT WIEN
Net EU contribution
€ 199 440,96
Address
UNIVERSITATSRING 1
1010 Wien
Austria

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Region
Ostösterreich Wien Wien
Activity type
Higher or Secondary Education Establishments
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Total cost
No data