Research data supporting "Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks"
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Repository DOI
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Authors
Gittins, Jamie W
Balhatchet, Chloe J
Chen, Yuan
Madden, David G
Description
This data is primarily related to the synthesis and characterisation of Cu₃(HHTP)₂, and its electrochemical characterisation in symmetric electric double-layer capacitors with 1 M NEt₄BF₄ in acetonitrile electrolyte. The data provided here consists of:
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CIF Files (contains information of the CIF files used during modelling and simulations. These can also be found at: https://doi.org/10.5281/zenodo.4694845). -
Conductivity Measurement Data (contains results from the measurements used to calculate conductivity values). -
Electrochemistry Data (contains CV data from 3-electrode cells; CV, GCD, EIS, and long-term cycling stability data from composite Cu₃(HHTP)₂ EDLCs with 1 M NEt₄BF₄ in acetonitrile electrolyte; CV, GCD, and EIS data from a Cu₃(HHTP)₂ EDLCs with 1 M NEt₄BF₄ in acetonitrile electrolyte; characterisation data for a YP50F EDLC with 1 M NEt₄BF₄ in acetonitrile; and characterisation data for an acetylene black EDLC with 1 M NEt₄BF₄ in acetonitrile). -
Elemental Analysis Data (contains elemental analysis data). -
Gas Sorption Data (.xlsx, .txt - contains results from gas sorption measurements). -
XANES Data (contains XANES data from powder samples of Cu₃(HHTP)₂, pristine Cu₃(HHTP)₂ electrodes, cycled Cu₃(HHTP)₂ electrodes from EDLCs, and standard samples). -
XRD Data (contains PXRD data).
Version
Software / Usage instructions
- CIF files used for simulations - can be opened with a text file editor.
- Conductivity measurement data - can be opened with a text file editor or Microsoft Excel.
- Electrochemistry measurement data - can be opened with a text file editor or with EC-Lab. EC-Lab (Biologic) is not freely available.
- Elemental analysis data - can be opened with a pdf reader, and a text file editor or Microsoft Excel.
- Gas sorption isotherms - can be opened with a text file editor or Microsoft Excel.
- XANES data - can be opened using the Athena program of the Demeter software package. This is free to download from https://bruceravel.github.io/demeter/.
- XRD data - can be opened with a text file editor or Microsoft Excel.
Keywords
Supercapacitors, Electrochemistry, Metal-Organic Frameworks, Structure-Property Investigations
Publisher
Sponsorship
Faraday Institution (via University Of Sheffield) (FIRG017 160768)
Innovate UK (104384)
European Research Council (726380)
Isaac Newton Trust (13.21(c)/18.47(a))
Innovate UK (104384)
European Research Council (726380)
Isaac Newton Trust (13.21(c)/18.47(a))
• Oppenheimer Studentship, School of the Physical Sciences, University of Cambridge.
• Royal Society University Research Fellowship (UF100278), Royal Society.
• UK Materials and Molecular Modelling Hub for computational resources, which is partially funded by EPSRC (EP/P020194/1 and EP/T022213/1).
• Royal Society PhD funding, Royal Society.
• Winton Programme for the Physics of Sustainability, University of Cambridge.
• BP Next Generation Fellowship, Yusuf Hamied Department of Chemistry, University of Cambridge.
• UKRI Future Leaders Fellowship (MR/T043024/1), UK Research and Innovation.