Classical density functional analysis of the ionic size effects on the properties of charge regulating electric double layers

Prakash, D.; Denoyer, Luke H; Vangara, Raviteja; Baća, J.; Swol, Frank van; Petsev, Dimiter N.

doi:10.1080/00268976.2021.1937737

Cited by 4 publications

(1 citation statement)

References 41 publications

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“…The CDFT is originally designed for thermodynamic systems under external field(s), among which includes electrical double layer (EDL) system, which underlies much of the EDLSC. In fact, the CDFT and relevant statistical theories have been widely used in the EDL systems [29][30][31][32], the EDLSC [33,34], and other issues such as confined system phase transitions [35][36][37][38][39][40][41], solvation energy [42][43][44][45], surface forces [46][47][48][49], etc. Problems with the CDFT are that the CDFT is purely numerical and no analytical solution exists for it.…”

Section: Introductionmentioning

confidence: 99%

Ultrananoporous supercapacitor with ionic liquid comprised of two-site cation: an Ising model study (II)

Zhou¹,

Zhou²

2022

J. Phys. D: Appl. Phys.

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A four-state one-dimension discrete spin model with the nearest neighbor and partial next nearest neighbor lattice interactions is proposed for describing electrical double layer formed by ionic liquid in cylindrical pore that can accommodate only one row of particles. The model, in which cation is modelled as a dimer formed by two hard spheres: one is positively charged with diameter , while the other is neutral with diameter , and anion is modeled by charged hard sphere with diameter , is designed to investigate effects of pore diameter , ion transfer free energy, ion size and electrical valence on behaviors of specific differential capacitance and specific energy storage and its saturation value . Relevant Kramers-Wannier transfer matrix is , which gives system partition function by numerically solving maximum real root of the relevant characteristic equation. Main findings are briefly described below. (i) The ion valence has little effect on the value, but does reduce the threshold voltage strength , beyond which the energy storage reaches . However, the ion valence (whether co- or counter-ion) raises both the and values as the relevant ion size decreases enough. (ii) Decreasing of the value weakly reduces the value, but raises the peak height and the value obviously; correlation between the value and value becomes stronger with the ions getting more pore hostile. (iii) With the counter-ion or co-ion charged site size decreasing, both the value and value rise. However, the effect of the co-ion charged site size is weakened as the co-ion gets more pore hostile, and the cation neutral site size influences on the value less than the cation charged site size does. (iv) Pore friendly co-ion or pore hostile counter-ion always helps in raising the value; the two have significant synergistic effect with the co-ion pore friendliness playing more important role than the counter-ion pore hostility.

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Section: Introductionmentioning

confidence: 99%

Ultrananoporous supercapacitor with ionic liquid comprised of two-site cation: an Ising model study (II)

Zhou¹,

Zhou²

2022

J. Phys. D: Appl. Phys.

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Mechanism of oscillation of aqueous electrical double layer capacitance: Role of solvent

Zhou

2022

Journal of Molecular Liquids

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Effective electrostatic forces between two neutral surfaces with surface charge separation: valence asymmetry and dielectric constant heterogeneity

Zhou

2022

Molecular Physics

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Classical density functional analysis of the ionic size effects on the properties of charge regulating electric double layers

Cited by 4 publications

References 41 publications

Ultrananoporous supercapacitor with ionic liquid comprised of two-site cation: an Ising model study (II)

Ultrananoporous supercapacitor with ionic liquid comprised of two-site cation: an Ising model study (II)

Mechanism of oscillation of aqueous electrical double layer capacitance: Role of solvent

Effective electrostatic forces between two neutral surfaces with surface charge separation: valence asymmetry and dielectric constant heterogeneity

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