Journal
ACS NANO
Volume 13, Issue 7, Pages 8185-8192Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.9b03303
Keywords
ion transport; nanoporous electrodes; network connectivity; pore size distribution; molecular modeling
Categories
Funding
- National Natural Science Foundation of China [91834301, 21808055]
- State Administration of Foreign Experts Affairs of China [B08021]
- China Postdoctoral Science Foundation [2019M651416]
- Shanghai Sailing Program [18YF1405400, 19YF1411700]
- Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences
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Electroosmotic flow in nanoporous materials is of fundamental importance for the design and development of filtration membranes and electrochemical devices such as supercapacitors and batteries. Recent experiments suggest that ion transport in a porous network is substantially different from that in individual nanochannels due to the pore size distribution and pore connectivity. Herein, we report a theoretical framework for ion transport in nanoporous materials by combing the classical density functional theory to describe the electrical double layer (EDL) structure, the Navier Stokes equation for the fluid flow, and the effective medium approximation to bridge the gap between individual nanopores and the network connectivity. We find that ion conductivity in nanoporous materials is extremely sensitive to the pore size distribution when the average size of micropores is comparable to the EDL thickness. The theoretical predictions provide an explanation of the giant gap between the conductivity of a single pore and that of a porous network and highlight the mechanism of ion transport through nanoporous materials important for numerous practical applications.
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