Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors
| Autor: | Ajay Muralidharan, Mangesh I. Chaudhari, Susan B. Rempe, Gary G. Hoffman, Lawrence R. Pratt |
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| Rok vydání: | 2018 |
| Předmět: |
Supercapacitor
Materials science General Chemical Engineering chemistry.chemical_element 02 engineering and technology Electrolyte Carbon nanotube 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences law.invention Molecular dynamics chemistry.chemical_compound General Energy chemistry law Chemical physics Propylene carbonate Environmental Chemistry General Materials Science Electric potential Poisson's equation 0210 nano-technology Carbon |
| Zdroj: | ChemSusChem. 11(12) |
| ISSN: | 1864-564X |
| Popis: | Electrochemical double-layer capacitances of charged carbon nanotube (CNT) forests with tetraethyl ammonium tetrafluoro borate electrolyte in propylene carbonate are studied on the basis of molecular dynamics simulation. Direct molecular simulation of the filling of pore spaces of the forest is feasible even with realistic, small CNT spacings. The numerical solution of the Poisson equation based on the extracted average charge densities then yields a regular experimental dependence on the width of the pore spaces, in contrast to the anomalous pattern observed in experiments on other carbon materials and also in simulations on planar slot-like pores. The capacitances obtained have realistic magnitudes but are insensitive to electric potential differences between the electrodes in this model. This agrees with previous calculations on CNT forest supercapacitors, but not with experiments which have suggested electrochemical doping for these systems. Those phenomena remain for further theory/modeling work. |
| Databáze: | OpenAIRE |
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