首页|Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations
Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations
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国家科技期刊平台
NETL
NSTL
万方数据
维普
Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode–electrolyte interactions is of vital importance to enhance device per-formance for practical applications. Molecular dynamics (MD) simulations could provide theoretical guidelines for the optimal design of electrodes and the improvement of capacitive performances, e.g., energy density and power density.Here we discuss recent MD simulation studies on energy storage performance of electrode materials con-taining porous to nanostructures. The energy storage properties are related to the electrode structures,including electrodegeometryandelectrodemodifications.Altering electrodegeometry,i.e.,poresizeandsurfacetopography, can influence EDL capacitance. We critically examine different types of electrode modifications,such as altering the arrangement of carbon atoms,doping heteroatoms and defects, which can change the quantum capacitance. The enhancement of power density can be achieved by the intensified ion dynamics and shortened ion pathway. Rational control of the electrode morphology helps improve the ion dynamics by decreasing the ion diffusion pathway. Tuning the surface properties (e.g., the affinity between the electrode and the ions) can affect the ion-packing phenomena. Our critical analysis helps enhance the energy and power densities of EDLCs by modulating the corresponding electrode structures and surface properties.
Electric double-layer capacitorsMolecular dynamicsPorous structureNanostructure
State Key Laboratory of Clean Energy Utilization,College of Energy Engineering,Zhejiang University, Hangzhou 310027,Zhejiang Province,People's Republic of China
School of Chemistry,Physics and Mechanical Engineering, Queensland University of Technology,Brisbane,QLD 4000, Australia
Joint CSIRO-QUT Sustainable Processes and Devices Laboratory,Lindfield,NSW 2070,Australia
This work is supported by the National Natural Science Foundation of ChinaZhejiang Provincial Natural Science Foundation of China
国家科技期刊平台
NSTL
万方数据
维普
