Effect of zinc concentration on physical properties of copper oxide (Cu1−xZnxO)

Wattoo, Abdul Ghafar; Song, Zhenlun; Iqbal, M. Zubair; Rizwan, Muhammad; Saeed, Ahmad; Ahmad, Sajjad; Ali, Akbar; Naz, Nazir A.

doi:10.1007/s10854-015-3651-6

Cited by 7 publications

(3 citation statements)

References 19 publications

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“…206 mAh g -1 for N1 and 186 mAh g -1 for N2) were better than the theoretical capacity of 170 mAh g -1 for LiFePO 4 [24], working capacities of 160 mAh g -1 for LiCoO 2 [25] Figure 5 shows diffuse reflectance spectra for the three samples (N1, N2 and M) following Kubelka-Munk transformation [31,32]. The band-gaps determined by linear extrapolation for samples N1, N2 and M are 1.84, 1.89 and 2.08 eV respectively.…”

Section: Charge-discharge Testsmentioning

confidence: 86%

Synthesis, characterization and electrochemical performances of γ-Fe2O3 cathode material for Li-ion batteries

Abbasi

Mirhabibi

Arabi³

et al. 2016

J Mater Sci: Mater Electron

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Maghemite nanoparticles were successfully synthesized via a co-precipitation method and electrochemical-optical properties of three different sizes were studied. Using this material as a Li-ion battery cathode, the results of charge-discharge tests showed that decreasing the maghemite particle size increased the lithium hosting capacity. First discharge capacities for cathodes made of material of particle size 11 and 19 nm were 206 and 186 mAh g -1 respectively, while for micron-sized cathode material a discharge capacity of 26 mAh g -1 was obtained. Electrochemical impedance spectroscopy (EIS) was used to derive equivalent circuit elements, which confirmed a reduction in lithium insertion resistance for material with a smaller particle size. EIS investigations disclosed that the R ct and Z W reduced with reduction of particle size, which indicates cathode material with lower particle size is more suitable. Band-gaps of the materials were determined using the diffuse reflectance spectroscopy technique on the base of Kubelka-Munk theory. The results showed that the needed energy for electron conduction reduces with reduction of particle size, which results in capacity enhancement.

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Section: Charge-discharge Testsmentioning

confidence: 86%

Synthesis, characterization and electrochemical performances of γ-Fe2O3 cathode material for Li-ion batteries

Abbasi

Mirhabibi

Arabi³

et al. 2016

J Mater Sci: Mater Electron

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“…The optical properties of such Cu-doped ZnO were also studied with density functional theory (DFT) by Volnianska and Bogusławski [ 9 ]. Wattoo et al investigated the effect of zinc concentration on the physical properties of CuO, where x was varied between 0 and 0.08 in Cu 1− x Zn x O [ 10 ]. When Amaral et al studied the Zn doping effect on the structural properties of CuO, their Cu 1− x Zn x O samples showed small amounts of spurious phases above x = 0.05 [ 11 ].…”

Section: Introductionmentioning

confidence: 99%

“…The prototypical example is the copper(I) oxide Cu 2 O. The oxidation state of copper also affects the magnetic properties of the potential ternary oxide: Cu(I) with the 3d 10 valence electron configuration is diamagnetic, while Cu(II) with the 3d 9 valence electron configuration is magnetic. Thus, ternary Cu-Zn-O oxides could in principle exist as non-magnetic Cu(I)-Zn(II)-O compounds, magnetic Cu(II)-Zn(II)-O compounds, or as magnetic, mixed Cu(I)-Cu(II)-Zn(II)-O compounds.…”

Section: Introductionmentioning

confidence: 99%

Evolutionary Algorithm-Based Crystal Structure Prediction of CuxZnyOz Ternary Oxides

Kuklin

Karttunen

2023

Molecules

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Binary zinc(II) oxide (ZnO) and copper(II) oxide (CuO) are used in a number of applications, including optoelectronic and semiconductor applications. However, no crystal structures have been reported for ternary Cu-Zn-O oxides. In that context, we investigated the structural characteristics and thermodynamics of CuxZnyOz ternary oxides to map their experimental feasibility. We combined evolutionary crystal structure prediction and quantum chemical methods to investigate potential CuxZnyOz ternary oxides. The USPEX algorithm and density functional theory were used to screen over 4000 crystal structures with different stoichiometries. When comparing compositions with non-magnetic CuI ions, magnetic CuII ions, and mixed CuI-CuII compositions, the magnetic Cu2Zn2O4 system is thermodynamically the most favorable. At ambient pressures, the thermodynamically most favorable ternary crystal structure is still 2.8 kJ/mol per atom higher in Gibbs free energy compared to experimentally known binary phases. The results suggest that thermodynamics of the hypothetical CuxZnyOz ternary oxides should also be evaluated at high pressures. The predicted ternary materials are indirect band gap semiconductors.

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Sustainable Energy Materials

Sankar¹

2022

Artificial Intelligence for Renewable Energy and Climate Change

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Effect of zinc concentration on physical properties of copper oxide (Cu1−xZnxO)

Cited by 7 publications

References 19 publications

Synthesis, characterization and electrochemical performances of γ-Fe2O3 cathode material for Li-ion batteries

Synthesis, characterization and electrochemical performances of γ-Fe2O3 cathode material for Li-ion batteries

Evolutionary Algorithm-Based Crystal Structure Prediction of CuxZnyOz Ternary Oxides

Sustainable Energy Materials

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