Excited-State Dynamics of Molecular Solar Thermal Fuels

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.