Published July 20, 2022 | Version v1
Dataset Open

Data set related to the manuscript "Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores"

Authors/Creators

  • 1. CIRIMAT, Université de Toulouse, CNRS, France
  • 2. Department of Chemistry, Lancaster University, Lancaster, LA1 4YB, UK

Description

Graphical files in the agr format for all the figures in the manuscript entitled "Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores". Examples of input files for the density functional theory, lattice and molecular dynamics simulations are also provided.

Files

Figures-files.zip

Files (12.2 MB)

Name Size Download all
md5:60af7e4ae4ad5b3e87ae5a0f9c90d515
3.7 MB Preview Download
md5:f37f4c5df8e9f9b79224f957fc2d2c9b
28.1 kB Preview Download
md5:dc5b7bafe96a2a97027df6d4bbf88b8a
644.8 kB Preview Download
md5:b5da5af7c1c9d63bb8fec6965e2da436
7.8 MB Preview Download

Additional details

Funding

UK Research and Innovation
Mechanistic Understanding of Capacitive Deionisation (MU-CDI) EP/V05001X/1
European Commission
SuPERPORES - Structure-performance relationships in porous carbons for energy storage 714581