Vacancies effect on structural, electronic and mechanical properties of delafossite CuAlO2

Jiang, Haifeng; Xu, H.J.; Wang, P.; Fu, Peng; Pan, P.D.; Sun, Shunping

doi:10.1016/j.physb.2021.413122

Cited by 9 publications

(7 citation statements)

References 43 publications

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“…All the transition state structures were identified by vibrational analysis. To explore the oxidation process of the Cu 2 O and CuAlO 2 , we used four surface models of CuO (111), Cu 2 O (111), CuAl 2 O 4 (100) and CuAlO 2 (110). , The Cu 2 O (111) and CuAlO 2 (110) were used to study the O 2 adsorption, the dissociation and the oxygen vacancy migration. The CuO (111) and CuAl 2 O 4 (100) were used to investigate the oxygen vacancy formation energy of oxidation products.…”

Section: Experimental Sectionmentioning

confidence: 99%

Al-Modified CuO/Cu₂O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

Xiang

et al. 2021

ACS Appl. Mater. Interfaces

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Next-generation concentrated solar power plants with high-temperature energy storage requirements stimulate the pursuit of advanced thermochemical energy storage materials. Copper oxide emerges as an attractive option with advantages of high energy density and low cost. But its easy sinterability limits its reversibility and cyclic stability performance. In this work, aluminum-doped copper oxides are synthesized and evaluated via thermogravimetric analysis. The reversibility of Cu–Al oxides reaches 99.5% in the first redox cycle and maintains 81.1% of the initial capacity after 120 cycles. The Al element can modify the CuO particle surface in the form of CuAl2O4, which separates the copper oxide particles from each other during redox cycles to avoid agglomeration and participates in the redox reaction. Through DFT analysis, the introduction of Al is found to increase the formation energy of copper vacancies in copper oxides, which helps avoid the sintering problem and thus improves the oxidation rate. This study provides a generalizable operational mechanism of element doping and can serve as a guideline for the optimization of high-performance materials in thermochemical energy storage.

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Section: Experimental Sectionmentioning

confidence: 99%

Al-Modified CuO/Cu₂O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

Xiang

et al. 2021

ACS Appl. Mater. Interfaces

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“…8,19 Jiang et al found that the introduction of Cu vacancy can improve the functional application (e.g., p-type conductivity and ductility) of CuAlO 2 . 20 Oxygen vacancy defects can provide active sites for molecule adsorption and the subsequent interfacial redox reaction, enhancing the response of a p-CuAlO 2 sensor toward volatile organic compounds. 21 Although intrinsic point defects (i.e., vacancy: V Cu , V Al , V O ; interstitial: Cu i , Al i , O i ; antisite: Cu Al , Al Cu ) are theoretically predicted to play crucial roles for the physicochemical properties and optoelectronic performance of CuAlO 2 , most of the currently reported experimental literature only investigates the effects of V O and O i generated by oxygen partial pressure changes during the preparation, due to the limitations of the preparation process and detection techniques.…”

Section: Introductionmentioning

confidence: 99%

“…22 Jiang et al observed V Al causes a larger lattice deformation than that of V Cu and V O , and V Cu has the lowest formation energy, by DFT calculations. 20 However, as far as the published literature, we can consult at present, the DFT calculations related to the intrinsic point defects of CuAlO 2 suffers from the following two deficiencies: incomplete consideration of the types of point defects; incomplete consideration of the effects of point defects, and few in-depth insights, can be provided. To solve this issue and provide available insights, all possible eight intrinsic point defects of CuAlO 2 have been considered and systematically investigated by DFT calculations in the present work.…”

Section: Introductionmentioning

confidence: 99%

“…Jiang et al. found that the introduction of Cu vacancy can improve the functional application (e.g., p‐type conductivity and ductility) of CuAlO 2 20 . Oxygen vacancy defects can provide active sites for molecule adsorption and the subsequent interfacial redox reaction, enhancing the response of a p‐CuAlO 2 sensor toward volatile organic compounds 21 …”

Section: Introductionmentioning

confidence: 99%

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New insights into intrinsic point defects of delafossite CuAlO₂ as optoelectronic materials

2022

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Delafossite CuAlO 2 has great potential in optoelectronics applications. The intrinsic point defects play the decisive roles in the optoelectronic properties and application of CuAlO 2 . However, there are still disputes about their relevant underlying physical mechanisms at the atomic scale. Here, the formation of intrinsic point defects of CuAlO 2 and their effects on optical absorption spectra and electronic structure have been systematically investigated using firstprinciples calculations. In oxygen-rich and oxygen-poor chemical environments, acceptor-type defects such as Cu vacancy and Cu substitution on the Al site can spontaneously form and produce p-type conductivity at room temperature. This is the important physical basis for CuAlO 2 to be widely used as transparent conductive oxide films. The shallow acceptor-type levels produced by Cu substitution on Al site and O vacancy, and the shallow donor-type levels pro-How to cite this article: Zhao Z-Y, Zhang J-X, Chen X-L. New insights into intrinsic point defects of delafossite CuAlO 2 as optoelectronic materials. J

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“…Recently, delafossite-based materials extensively explored, particularly after CuAlO 2 was invented, which was excellent p-type transparent conducting oxide (TCO) material. [9][10][11][12][13][14] Copper-related delafossites materials have interesting properties. However, the electrochemical ability of delafossite CuAlO 2 has not been reported extensively.…”

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confidence: 99%

Highly Efficient Electrocatalytic Active Delafossite CuAlO₂/Al₂O₃ Microspheres towards Detection of Furaltadone Antibiotic Drug in Real Samples

Chen¹,

You²,

Vasu³

et al. 2023

J. Electrochem. Soc.

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In this study, CuAlO2/Al2O3 micro-sphere was prepared by sol-gel techniques and annealed under N2-atmosphere. The microsphere composite materials physio-chemical properties were studied using various analytical techniques. The surface morphology prepared materials were observed from the field-emission scanning electron microscopy with spherical structure. The surface area and the surface morphology were explored using the Brunnauer-Emmmett-Teller method. In this research, we studied a CuAlO2/Al2O3 microspheres decorated screen printed carbon electrode (SPCE) utilized to detected the furaltadone (FLT). The electrochemical active surface area has determined using ferric cyanide system and randles-sevick equations. The CuAlO2/Al2O3 microspheres electrochemical ability was analysed using cyclic voltammetry and differential pulse voltammetry towards detection of FLT. These CuAlO2/Al2O3 microspheres decorated electrodes exhibited excellent electrochemical sensor with a limit of detection and sensitivity is 20 nM and 12.7845 μA μM-1 cm-2, respectively. Moreover, the CuAlO2/Al2O3 microspheres/SPCE electrodes exhibit excellent stability, repeatability, reproducibility, and higher sensitivity. The decorated sensor electrode real time applications were successfully studied to analyzing FLT in river and bond water with excellent recovery results.

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Vacancies effect on structural, electronic and mechanical properties of delafossite CuAlO2

Cited by 9 publications

References 43 publications

Al-Modified CuO/Cu₂O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

Al-Modified CuO/Cu₂O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

New insights into intrinsic point defects of delafossite CuAlO₂ as optoelectronic materials

Highly Efficient Electrocatalytic Active Delafossite CuAlO₂/Al₂O₃ Microspheres towards Detection of Furaltadone Antibiotic Drug in Real Samples

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Vacancies effect on structural, electronic and mechanical properties of delafossite CuAlO2

Cited by 9 publications

References 43 publications

Al-Modified CuO/Cu2O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

Al-Modified CuO/Cu2O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

New insights into intrinsic point defects of delafossite CuAlO2 as optoelectronic materials

Highly Efficient Electrocatalytic Active Delafossite CuAlO2/Al2O3 Microspheres towards Detection of Furaltadone Antibiotic Drug in Real Samples

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Product

Resources

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Al-Modified CuO/Cu₂O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

Al-Modified CuO/Cu₂O for High-Temperature Thermochemical Energy Storage: from Reaction Performance to Modification Mechanism

New insights into intrinsic point defects of delafossite CuAlO₂ as optoelectronic materials

Highly Efficient Electrocatalytic Active Delafossite CuAlO₂/Al₂O₃ Microspheres towards Detection of Furaltadone Antibiotic Drug in Real Samples