Fundamental Research into Understanding the Molecular structure of eleKtrochemical INterfaces

Project Information

FRUMKIN

Grant agreement ID: 101019998

DOI

10.3030/101019998

EC signature date 13 June 2021

Start date 1 November 2021

End date 31 October 2026

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 2 500 000,00

EU contribution

€ 2 500 000,00

Coordinated by

UNIVERSITEIT LEIDEN
Netherlands

Periodic Reporting for period 2 - FRUMKIN (Fundamental Research into Understanding the Molecular structure of eleKtrochemical INterfaces)

Reporting period: 2023-05-01 to 2024-10-31

Summary of the context and overall objectives of the project

The Frumkin project aims to develop and formulate new models for the interface between a metal or a metal-oxide and an aqueous electrolyte solution. We address this issue by a combination of detailed electrochemical experiments, various kinds of spectroscopy and microscopy, as well as state-of-the-art (ab initio) quantum-chemical modeling.
Understanding this interface in atomic and molecular-level detail is important for the development of more efficient and durable electrolysers and batteries.

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

The project has started to work on the electrode-electrolyte interface of three important electrode materials: gold (as a model supposedly inert surface), platinum (as a practically relevant electrode material), and iron-oxide (as model oxide surface). Main results so far:
- Detailed characterization of Au(111) in relation to surface structure as imaged by electrochemical scanning tunneling microscopy
- Double layer model of stepped Pt single-crystal electrodes, both experiment and simulation
- Detailed understanding of the hitherto unrecognized issues in accurately measuring double-layer capacitance of single crystals
- Detailed characterization of a model single-crystalline Fe2O3 oxide electrode
- Development of (synchrotron-based) X-Ray methodology to probe metal-electrolyte interfaces
- Development of in situ Sum Frequency Generation spectroscopy to probe metal-electrolyte interfaces, in collaboration with AMOLF
- Development of simulation methodology for studying metal-electrolyte interfaces

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)

- New model for the double layer of platinum, which is significantly more detailed and consistent than any previous model
- For gold, we have laid the basis for a similarly new model, having fully characterized Au(111).
- Understanding hitherto unrecognized issues in accurately measuring double-layer capacitance of single crystals
- Development and testing of (synchrotron-based) X-Ray methodology to probe metal-electrolyte interfaces; this will take this methodology significantly beyond the state-of-the-art
- Development of in situ Sum Frequency Generation spectroscopy to probe metal-electrolyte interfaces, in collaboration with AMOLF; this will take this methodology significantly beyond the state-of-the-art
- Expected novel models for oxide-electrolyte interfaces
- Detailed new understanding of metal-non aqueous electrolyte interfaces

Pt553-water interface