Energy Storage in Molecules

Project Information

ESiM

Grant agreement ID: 101046364

DOI

10.3030/101046364

Project closed

EC signature date 22 March 2022

Start date 1 April 2022

End date 31 March 2026

Funded under

• The European Innovation Council (EIC)

Total cost

€ 2 999 822,00

EU contribution

€ 2 999 822,00

Coordinated by

TECHNISCHE UNIVERSITAET DRESDEN
Germany

Periodic Reporting for period 2 - ESiM (Energy Storage in Molecules)

Reporting period: 2023-04-01 to 2024-09-30

Summary of the context and overall objectives of the project

The main objective of the ESiM project is to create the scientific basis for a new technology addressing the pressing challenges relating to scalable clean energy storage. The ESiM strategy makes use of the conformational degrees of freedom of organic molecules. This concept circumvents the limits of battery technology which is based on ions flow and on environmentally harmful substances.

Work performed from the beginning of the project to the end of the period covered by the report and main results achieved so far

During the first reporting period ESiM synthetized the first molecular rotors and switches and started to develop numerical and theoretical tools to explore energy storage in molecules and design molecular rotors with the needed properties. Low temperature scanning tunneling microscopy experiments on single molecules and 2D networks have been performed.

During RP2, ESiM synthesised new vertical rotors and switches, based on carbene-NHC and vertical subphthalocyanine platforms. Theoretical work was performed to simulate the thermalization processes in single adsorbed molecules. Furthermore, we have designed and started to construct a bimetallic micro-cantilever experiment operating under UHV conditions for the detection of energy stored in molecular layers.

Progress beyond the state of the art and expected potential impact (including the socio-economic impact and the wider societal implications of the project so far)

Experiments on single molecules started in RP1 with the investigation of a DMNI-P single-molecule rotor on the Au(111) surface, which is able to rotate in one direction by inelastic tunneling electronic excitations. A statistical analysis of the rotational rate depending on the applied bias voltages allowed us to determine the involved vibrational modes. The behavior by thermal excitations was investigated too.

Experiments on single-molecule rotors and switches continued during RP2. We determined the experimental rotational barrier height for two molecular rotors.

We fabricated a series of molecular porous networks on Au(111) with tuneable internal pore diameters. Different combinations of potential molecular rotors placed inside the porous networks were investigated.

We theoretically explored which design excited state potential energy surfaces need to allow mechanical energy storage and unidirectional rotation.

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