ChemElectroChem
ChemElectroChem
5 years ago

Reliability of Constant Charge Method for Molecular Dynamics Simulations on EDLCs in Nanometer and Sub-Nanometer Spaces

Reliability of Constant Charge Method for Molecular Dynamics Simulations on EDLCs in Nanometer and Sub-Nanometer Spaces
Kefa Cen, Zheng Bo, Hualei Qi, Jing Kong, Huachao Yang, Jianhua Yan, Jinyuan Yang
The front cover artwork is provided by Mr. Jinyuan Yang and Prof. Zheng Bo, Zhejiang University (Zhejiang, China). The image shows the comparison of constant charge and constant potential methods for molecular dynamics simulations on electric double layer capacitance in nano-confined spaces. Read the full text of the Article at 10.1002/celc.201700447. “The reliability of the constant charge method for molecular dynamics simulations on electric double layer capacitors in nanometer and sub-nanometer spaces is conducted by comparison with the constant potential method. This investigation will be instructive in choosing an appropriate simulation method for designing the confined spaces of graphene-based electrodes…” Find out more about the story behind the front cover research at 10.1002/celc.201700447.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/celc.201700893

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