Modeling galvanostatic charge–discharge of nanoporous supercapacitors

Zeng, Liang; Wu, Taizheng; Ye, Ting; Mo, Tangming; Qiao, Rui; Feng, Guang

doi:10.1038/s43588-021-00153-5

Cited by 55 publications

(52 citation statements)

References 56 publications

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“…Possible realization of GCD mode follows from very recent ref. [50]-one can use the boundary condition at x = 0 which indicates an applied current with the given period and amplitude (see Equation (7c) in [50]). (II): Our model is applied to the porous electrodes with flat smooth inner surface.…”

Section: Resultsmentioning

confidence: 99%

Relation between Charging Times and Storage Properties of Nanoporous Supercapacitors

2022

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An optimal combination of power and energy characteristics is beneficial for the further progress of supercapacitors-based technologies. We develop a nanoscale dynamic electrolyte model, which describes both static capacitance and the time-dependent charging process, including the initial square-root dependency and two subsequent exponential trends. The observed charging time corresponds to one of the relaxation times of the exponential regimes and significantly depends on the pore size. Additionally, we find analytical expressions providing relations of the time scales to the electrode’s parameters, applied potential, and the final state of the confined electrolyte. Our numerical results for the charging regimes agree with published computer simulations, and estimations of the charging times coincide with the experimental values.

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Section: Resultsmentioning

confidence: 99%

Relation between Charging Times and Storage Properties of Nanoporous Supercapacitors

2022

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“…Does the structural change of the interface EDL improve the voltage resistance of the DME-based electrolyte? We first dissect the EDL structure at the electrode/electrolyte interface by MD simulation and DFT calculation 31 , 32 . Typically, with the increase of the repulsive force from the electric field, positive ions will be gradually excluded from the highly polarized electrode surface, as observed in Fig.…”

Section: Resultsmentioning

confidence: 99%

“…Note that in our simulation system we adopted the constant charge method to mimic the electrode potential to form EDLs. Indeed, the constant potential method (CPM) is a more accurate but more computationally expansive method to model the applied potential 57 – 59 . However, the constant charge method (CCM) is generally considered to be able to simulate open electrode system at the equilibrium state (where the electrode surface is in contact with the bulk electrolyte 60 , for example, a planar 57 , cylindrical 61 , or spherical 62 surface), while it may not be accurate to simulate the charging dynamics or nanoporous electrode system.…”

Section: Methodsmentioning

confidence: 99%

“…Indeed, the constant potential method (CPM) is a more accurate but more computationally expansive method to model the applied potential 57 – 59 . However, the constant charge method (CCM) is generally considered to be able to simulate open electrode system at the equilibrium state (where the electrode surface is in contact with the bulk electrolyte 60 , for example, a planar 57 , cylindrical 61 , or spherical 62 surface), while it may not be accurate to simulate the charging dynamics or nanoporous electrode system. Very recent work reported the first MD modeling of CPM simulations for exploring the galvanostatic charge–discharge of supercapacitors 31 , revealing that for the simulation system with the same electrolyte-electrode setup with ours in this work (i.e., electrolytes with the graphene slab electrodes), CPM and CCM give nearly the same EDL structure at any time during the charging and discharging process, although showing a significant deviation for nanoporous electrode systems.…”

Section: Methodsmentioning

confidence: 99%

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Engineering a passivating electric double layer for high performance lithium metal batteries

et al. 2022

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In electrochemical devices, such as batteries, traditional electric double layer (EDL) theory holds that cations in the cathode/electrolyte interface will be repelled during charging, leaving a large amount of free solvents. This promotes the continuous anodic decomposition of the electrolyte, leading to a limited operation voltage and cycle life of the devices. In this work, we design a new EDL structure with adaptive and passivating properties. It is enabled by adding functional anionic additives in the electrolyte, which can selectively bind with cations and free solvents, forming unique cation-rich and branch-chain like supramolecular polymer structures with high electrochemical stability in the EDL inner layer. Due to this design, the anodic decomposition of ether-based electrolytes is significantly suppressed in the high voltage cathodes and the battery shows outstanding performances such as super-fast charging/discharging and ultra-low temperature applications, which is extremely hard in conventional electrolyte design principle. This unconventional EDL structure breaks the inherent perception of the classical EDL rearrangement mechanism and greatly improve electrochemical performances of the device.

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“…Notably, the asymmetry shape of the GCD curves at low current densities was probably caused by the hysteresis of nanoporous supercapacitors and the charge redistribution phenomena (see SI for details). [ 52–53 ] A high capacitance of 296 F g –1 at a current density of 0.3 A g –1 was obtained, and good capacitances were retained at increased current densities (Figure 4D). With the current density of 1 A g –1 , the corresponding capacitance was calculated to be 196 F g –1 , which was comparable to the result obtained from CV curves at 5 mV s –1 (corresponding to a current density of 1.06 A g –1 ).…”

Section: Resultsmentioning

confidence: 99%

Mechanochemistry‐Driven Construction of Aza‐fused π‐Conjugated Networks Toward Enhanced Energy Storage

Fan

Wang

Chen

et al. 2022

Adv Funct Materials

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The current approaches toward synthesis of conjugated microporous polymers (CMPs) functionalized by aza‐fused functionalities are still limited to solution‐based procedures or ionothermal polymerizations, which requires monomers with rigid/high steric hindrance structures and multiple reactive sites and extra arene‐based cross‐linkers, and generated CMPs with low content of aza‐fused functionalities. Herein, a facile mechanochemistry‐driven procedure is developed capable of affording a series of CMPs composed of abundant aza‐fused functionalities via a homocoupling process. Simple and linear aromatic bromide monomers with phenanthroline or bipyridine cores are deployed as the starting materials, which can coordinate on the metal surface to form 3D assembly and be polymerized in the presence of catalytic amount of magnesium powder driven by mechanochemical treatment under solvent‐ and additive‐free conditions. CMPs composed of solely phenanthroline or bipyridine moieties being connected by C–C bonds are afforded with high surface areas (up to 789 m2 g‐1), permanent and hierarchical porous architectures (micro‐ and mesopores), abundant aza‐fused moieties, and π‐conjugated networks. All these unique features made them promising candidates as supercapacitors, which exhibit outstanding electrocapacitive performance with a capacitance of 296 F g‐1 at 0.3 A g‐1 and capacitance retention of 103% for 5000 cycles at 5 A g‐1.

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Modeling galvanostatic charge–discharge of nanoporous supercapacitors

Cited by 55 publications

References 56 publications

Relation between Charging Times and Storage Properties of Nanoporous Supercapacitors

Relation between Charging Times and Storage Properties of Nanoporous Supercapacitors

Engineering a passivating electric double layer for high performance lithium metal batteries

Mechanochemistry‐Driven Construction of Aza‐fused π‐Conjugated Networks Toward Enhanced Energy Storage

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