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Association and Diffusion of Li(+) in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries
- Source :
- ChemSusChem (Weinh., Print) 9 (2016): 1804–1813. doi:10.1002/cssc.201600160, info:cnr-pdr/source/autori:Casalegno, Mosè; Castiglione, Franca; Passarello, Marco; Mele, Andrea; Mele, Andrea; Passerini, Stefano; Passerini, Stefano; Raos, Guido/titolo:Association and Diffusion of Li+<%2Fsup> in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries/doi:10.1002%2Fcssc.201600160/rivista:ChemSusChem (Weinh., Print)/anno:2016/pagina_da:1804/pagina_a:1813/intervallo_pagine:1804–1813/volume:9
- Publication Year :
- 2016
-
Abstract
- Carboxymethylcellulose (CMC) has been proposed as a polymeric binder for electrodes in environmentally friendly Li-ion batteries. Its physical properties and interaction with Li(+) ions in water are interesting not only from the point of view of electrode preparation-processability in water is one of the main reasons for its environmental friendliness-but also for its possible application in aqueous Li-ion batteries. We combine molecular dynamics simulations and variable-time pulsed field gradient spin-echo (PFGSE) NMR spectroscopy to investigate Li(+) transport in CMC-based solutions. Both the simulations and experimental results show that, at concentrations at which Li-CMC has a gel-like consistency, the Li(+) diffusion coefficient is still very close to that in water. These Li(+) ions interact preferentially with the carboxylate groups of CMC, giving rise to a rich variety of coordination patterns. However, the diffusion of Li(+) in these systems is essentially unrestricted, with a fast, nanosecond-scale exchange of the ions between CMC and the aqueous environment.
- Subjects :
- Magnetic Resonance Spectroscopy
General Chemical Engineering
Diffusion
Inorganic chemistry
chemistry.chemical_element
02 engineering and technology
Lithium
Molecular Dynamics Simulation
010402 general chemistry
01 natural sciences
Ion
Molecular dynamics
chemistry.chemical_compound
Electric Power Supplies
Environmental Chemistry
General Materials Science
Carboxylate
Aqueous solution
NMR spectroscopy
aqueous Li-ion batteries
diffusion
md simulations
natural polyelectrolytes
Nuclear magnetic resonance spectroscopy
021001 nanoscience & nanotechnology
0104 chemical sciences
Solutions
General Energy
chemistry
Carboxymethylcellulose Sodium
0210 nano-technology
Pulsed field gradient
Subjects
Details
- ISSN :
- 1864564X
- Volume :
- 9
- Issue :
- 14
- Database :
- OpenAIRE
- Journal :
- ChemSusChem
- Accession number :
- edsair.doi.dedup.....77d187caaec438ccd2942c470f9a1ba0