Complex Dynamics of Clusters in High-Aspect Ratio Hollow Nanostructures: A Nanoscale Platform for High-Performance Computing

Project Information

NANOCOMP

Grant agreement ID: 679124

DOI

10.3030/679124

Project closed

EC signature date 10 February 2016

Start date 1 April 2016

End date 31 January 2024

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 689 554,00

EU contribution

€ 1 689 554,00

Coordinated by

UNIVERSIDAD DE SANTIAGO DE COMPOSTELA
Spain

Periodic Reporting for period 6 - NANOCOMP (Complex Dynamics of Clusters in High-Aspect Ratio Hollow Nanostructures:A Nanoscale Platform for High-Performance Computing)

Reporting period: 2022-08-01 to 2024-01-31

Summary of the context and overall objectives of the project

The ERC-funded NANOCOMP project has developed a technology for the integration and exploitation of redox, catalytic and magnetically active nanoscale switches (NS) within the internal cavities of tubular hollow carbon nanostructures (TCN), yielding a totally new class of hybrid metal-carbon nanostructures (NS@TCN) that can function as model systems to study frontier concepts in a wide range of areas ranging from spintronics to memcomputing, energy-storage and conversion, and catalysis.

To advance societal well-being and accelerate scientific discovery across various fields, more powerful computers are essential. Paradigms like quantum computing and memcomputing offer promising solutions to overcome current limitations and reduce energy consumption while enabling faster computing and expanded functionality. Developing functional nanostructures is vital to realizing the potential of these paradigms.

The associated functions of NANOCOMP unique hybrid systems can also contribute to solve the increasing global demand for affordable and secure energy, while at the same time tackling climate change– one of the biggest challenges facing the world today. Within this project, we developed a new working principle for achieving extreme capacitance in hybrid supercapacitors to improve their storage capacity combining a superior electrochemical stability, as well as, on the development of an electrocatalysts technology with long-term durability for sustainable energy conversion. Using an electrochemical confinement-driven strategy as mean to achieve sustainable energy storage and conversion, this project has delivered advance solutions to important challenges in energy, including the lifetime of energy electrode materials while maximising efficiency, the leaching of active electrochemical components (metal dissolution) and the recyclability of technologically important chemical elements (including precious metals).

The project has achieved significant milestones, outlined across four key deliverables.
Deliverable 1 involved the precise assembly of redox, electrocatalytic or magnetically active nano-switches (NS) within various hollow carbon nanostructures.
Deliverable 2 focused on investigating and managing the confinement effects experienced by functional NS within these hollow carbon nanostructures.
Deliverable 3 led to the development of an innovative methodology tailored to leverage the functional properties exhibited by confined NS.
Deliverable 4 encompassed the fabrication of 2D and 3D functional networks, aimed at applying metal-carbon hybrid nanostructures in practical applications, involving magnetism, energy storage and conversion.

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

NANOCOMP has focused on preparing and characterizing hybrid metal-carbon nanostructures (NS@TCN) and developing methods to understand and control the assembly of guest nanoswitches with redox and magnetic properties in host-nanocontainers. We've established a research methodology for controlling the assembly of these confined nanoswitches, including molecules, and developed successful protocols for transporting and encapsulating preformed nanoparticles, as well as forming them in situ into the host-carbon nanostructures. This has resulted in a library of NS@TCN with exploitable properties.

The project's outcomes spanned across 4 work packages, yielding notable advancements:

In WP1, structural, magnetic, and electrochemical characterization of NS within carbon nanostructures was conducted, involving synthesis, isolation, insertion of NS into carbon nanostructures, and subsequent characterization. Some breakthroughs in this project came from fundamental understanding of the functional properties of unconfined NS (Dalton Transactions 2018, DOI:10.1039/C8DT01269E; Journal of Materials Chemistry C 2023, DOI:10.1039/D3TC00099K .

WP2 focused on passive control, utilizing covalent bonds and van der Waals forces to assemble various NS systems into different carbon nanostructure interiors.

WP3 explored active control methods for leveraging the functional properties of NS, resulting in the development of high-performance energy storage electrodes, electrocatalyst materials, and electrical and thermal switches. Notable achievements include, among others:

(A) Sustainable electrocatalysis technology development for fuel cells and water splitting (Advanced Materials 2016, DOI: ; ChemSusChem 2021, DOI: 10.1002/cssc.202101236; Small Methods 2024, DOI: 10.1002/smtd.202301805).
(B) Understanding the physicochemical properties of encapsulated nanoparticles (Journal of Materials Chemistry A 2017, DOI: 10.1039/C7TA03691D).
(C) Development of new synthetic methodologies for electrode degradation mitigation (Patent: EP23382707).
(D) Achievements in active control include, for example, the separation of catalytic nanoreactors from products mixtures in an efficient way by simply applying a magnetic field (Adv. Funct. Mater. 2018, DOI: 10.1002/adfm.201802869) or hyperthermia effects enhancement (Chemistry – A European Journal 2022, DOI: 10.1002/chem.202201861)
(E) Achievements in passive control include, for example, switching of electrocatalyst properties (Patent: P202030912) and enhancement of electrochemical reversibility (Patent: P202030929).

In WP4, various advancements were made, including the development of mem-capacitive/ristors films and the fabrication of porous 3D networks as electrodes for electrocatalysis and battery technologies (Additive Manufacturing 2023, DOI: 10.1016/j.addma.2023.103518; Advanced Sustainable Systems 2023, DOI: 10.1002/adsu.202300607).

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)

As a result of the work carry out during the project, we have created new functional hybrid metal-carbon nanostructures that have been exploited, among other things, as electrocatalyst materials, allowing us to develop a new catalytic technology to address the loss of electrochemical active surface area associated to catalyst degradation that has exceeded our expectations. In this context, a novel platinum-based hybrid nanocatalysts has shown a performance comparable to commercial electrocatalysts (platinum/carbon black), but most importantly they have exhibited outstanding durability, retaining most of the electrocatalytic activity even after 50,000 cycles of the reaction, and thus significantly outperforming all existing electrocatalytic systems under these conditions. This unprecedented discovery is important both on the fundamental scientific level, as it sheds light on the nanoscale processes under electrocatalytic conditions, and on the applied level, as it can be extended to other precious metals, and also be applied to other electrochemical processes of high technological value. The proposed strategy provides a real solution for (i) metal cluster migration and coalescence, (ii) metal loss by dissolution into electrolyte and (iii) loss of the electrical contact of metal nanoparticles associated to support corrosion. This approach has been extended to non-precious metals catalyst that opens an exciting avenue in both (i) unitized regenerative fuel cells with the development of efficient bi-functional catalysts for both the oxygen reduction reaction (ORR) and its reverse reaction (oxygen evolution reaction, OER) and (ii) water splitting technologies encompassing the OER, as well as the hydrogen evolving reaction (HER).

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