Cu- and Fe-hexacyanoferrate as cathode materials for Potassium ion battery: A First-principles study

Targholi, Ehsan; Mousavi-Khoshdel, S. Morteza; Rahmanifar, Mohammad S.; Yahya, Muhd Zu Azhan

doi:10.1016/j.cplett.2017.09.029

Cited by 18 publications

(23 citation statements)

References 28 publications

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“…The first and second couple of redox peaks, appearing at half potential of 0.18 and 0.3 V, may be related to the redox transition of Fe II /Fe III couple (due to the presence of both CuHCF and FeHCF, as explained earlier). In previous work, we showed that at higher energies the copper ions also contribute to the redox reaction . Therefore, the third redox reaction, for which the couple peaks appeared at half potential of 0.77 V, supposedly involves electron transfer between the lattice copper(II, I) ions.…”

Section: Resultssupporting

confidence: 54%

“…In our recent theoretical study, it was shown that copper hexacyanoferrate (CuHCF) has a much better efficiency than Prussian blue. Especially, CuHCF shows a longer cycling life, higher specific energy, higher power density and higher electrical conductivity in comparison to FeHCF . Thus, in the work reported in this paper, we synthesized CuHCF/rGO nanocomposites using a simple method.…”

Section: Introductionmentioning

confidence: 99%

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Facile synthesis of copper hexacyanoferrate/graphene nanocomposite for electrochemical energy storage

Targholi

Rahmanifar

Mousavi-Khoshdel

2018

Applied Organom Chemis

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A two-component nanocomposite of copper hexacyanoferrate/reduced graphene oxide (CuHCF/rGO) was successfully synthesized using a solutionbased co-precipitation process in the presence of graphene oxide solution. Electrochemical measurements indicated a specific capacitance of 548 F g −1 at a current density of 0.5 A g −1 in the potential range of −0.2 to 1 V, versus Ag/ AgCl standard electrode, obtained in an electrolyte of 0.5 M K 2 SO 4 (as a neutral electrolyte) during galvanostatic charge/discharge cycles. This value is higher than the specific capacitance of the raw materials rGO (174 F g −1 at a current density of 0.5 A g −1 ) and CuHCF (236 F g −1 at a current density of 0.5 A g −1 ), which is rooted in the activation of copper ions in the electrochemical reaction and some synergistic effects (observed between rGO and CuHCF). The rGO/ CuHCF nanocomposite electrode was able to retain 83% of its initial capacitance after 1000 cycles at a current density of 3 A g −1 .

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Section: Resultssupporting

confidence: 54%

Section: Introductionmentioning

confidence: 99%

Facile synthesis of copper hexacyanoferrate/graphene nanocomposite for electrochemical energy storage

Targholi

Rahmanifar

Mousavi-Khoshdel

2018

Applied Organom Chemis

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“…Due to its PBAs layer structure [1] , CuHCF shows outstanding potential for Na and Zn ion storage because monovalent and divalent cations can be facile to be inserted into the PBAs framework [17] . And CuHCF was reported a higher redox voltage by monovalent ion intercalation compared with pristine FeHCF, [ 16 ] suggesting a higher performance. The morphology and microstructures of as‐prepared CuHCF were observed by field emission scanning electron microscopy (SEM) and high‐resolution transmission electron microscopy (HRTEM), where the CuHCF nanoparticles show a uniform size of 50–70 nm (Figure 1b; Figure S1, Supporting Information).…”

Section: Resultsmentioning

confidence: 99%

High‐Performance Aqueous Na–Zn Hybrid Ion Battery Boosted by “Water‐In‐Gel” Electrolyte

Pan

Wang

Zhao

et al. 2021

Adv Funct Materials

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Aqueous hybrid Na–Zn ion batteries (ASZIBs) are promising for large‐scale energy storage due to their low cost and potential for high output voltage. However, most ASZIBs show limited discharge voltage (<2.0 V) and capacity (<100 mAh g–1) due to inefficient usage of the dual ions. In this study, a novel large‐electrochemical‐window “water‐in‐gel” electrolyte based CuHCF‐CNT/Zn Na–Zn hybrid battery is proposed, which achieves a high extraction voltage of Na ion (2.1 V vs Zn/Zn2+), together with a large discharge specific capacity (260 mAh g–1) thanks to the Zn‐ion insertion, delivering a superior energy density of 440 Wh kg–1. The hybrid battery also shows a high capacity retention of 96.8% after 450 cycles. Moreover, an ultrahigh discharge capacity of 1250 mAh g–1 is achieved when further coupled with the Zn‐O2 reaction, delivering the promising application of ion intercalation and metal–air hybrid battery.

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“…Effective U values ( U eff ) of 4.3 eV for Fe and 5.0 eV for Mn were taken from the literature [33] . Spin polarization was applied in all calculations because Fe naturally exhibits magnetic properties [34] . The cut‐off energy used for the plane wave expansion of the wave function was 520 eV.…”

Section: Methodsmentioning

confidence: 99%

Effect of Particle Size and Anion Vacancy on Electrochemical Potassium Ion Insertion into Potassium Manganese Hexacyanoferrates

et al. 2021

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Potassium manganese hexacyanoferrate (KMnHCF) can be used as a positive electrode for potassium‐ion batteries because of its high energy density. The effect of particle size and [Fe(CN)6]n− vacancies on the electrochemical potassium insertion of KMnHCFs was examined through experimental data and theoretical calculations. When nearly stoichiometric KMnHCF was synthesized and tested, smaller particle sizes were found to be important for achieving superior electrochemical performance in terms of capacity and rate capability. However, even in the case of larger particles, introducing a suitable number of anion vacancies enabled KMnHCF to exhibit comparable electrode performance. Electrochemical tests and density functional theory calculations indicated that anion vacancies contribute to the enhancement of K+ ion diffusion, which realizes good electrochemical performance. Structural design, including crystal vacancies and particle size, is the key to their high performance as a positive electrode.

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Cu- and Fe-hexacyanoferrate as cathode materials for Potassium ion battery: A First-principles study

Cited by 18 publications

References 28 publications

Facile synthesis of copper hexacyanoferrate/graphene nanocomposite for electrochemical energy storage

Facile synthesis of copper hexacyanoferrate/graphene nanocomposite for electrochemical energy storage

High‐Performance Aqueous Na–Zn Hybrid Ion Battery Boosted by “Water‐In‐Gel” Electrolyte

Effect of Particle Size and Anion Vacancy on Electrochemical Potassium Ion Insertion into Potassium Manganese Hexacyanoferrates

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