Energy Storage in Molecules

Informations projet

ESiM

N° de convention de subvention: 101046364

DOI

10.3030/101046364

Projet clôturé

Date de signature de la CE 22 Mars 2022

Date de début 1 Avril 2022

Date de fin 31 Mars 2026

Financé au titre de

• The European Innovation Council (EIC)

Coût total

€ 2 999 822,00

Contribution de l’UE

€ 2 999 822,00

Coordonné par

TECHNISCHE UNIVERSITAET DRESDEN
Germany

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

Période du rapport: 2023-04-01 au 2024-09-30

Résumé du contexte et des objectifs généraux du projet

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.

Travail effectué depuis le début du projet jusqu’à la fin de la période considérée dans le rapport et principaux résultats atteints jusqu’à présent

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.

Progrès au-delà de l’état des connaissances et impact potentiel prévu (y compris l’impact socio-économique et les conséquences sociétales plus larges du projet jusqu’à présent)

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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