Structural stability and electronic properties of XTO2 (X= Cu, Ag; T=Al, Cr): An ab initio study including X vacancies and Mg doping

Shook, James; Scolfaro, L. M. R.; Borges, Pablo D.; Geerts, Wilhelmus

doi:10.1016/j.solidstatesciences.2018.12.009

Cited by 18 publications

(5 citation statements)

References 70 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In complex oxides, the concept of chemical modulation of the valence band (introduced by Kawazoe, Hosono et al [194] [195] , [196] , [197] , [198] , [199] has been discovered since then. Cu vacancies can further enhance the p-type conductivity in these material systems [200] , [201] , [202] . In this sense, Lunca-Popa et al [203] reported Cu 0.66 Cr 1.33 O 2 thin films showing conductivities greater than 100  -1 cm −1 and carrier concentrations around 10 21 cm −3 owing to metastable Cu-vacancies chain defects.…”

Section: P-typementioning

confidence: 99%

Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

Pérez‐Tomás

2019

Adv Materials Inter

View full text Add to dashboard Cite

New device concepts and new computing principles are needed to balance our ever-growing appetite for data and information with the realization of the goals of increased energy efficiency, reduction in CO 2 emissions and the circular economy. Neuromorphic or synaptic electronics is an emerging field of research aiming to overcome the current computer's Von-Neumann bottleneck by building artificial neuronal systems to mimic the extremely energy efficient biological synapses. The introduction of photovoltaic and/or photonic aspects into these neuromorphic architectures will produce self-powered adaptive electronics but may also open up new possibilities in artificial neuroscience, artificial neural communications, sensing and machine learning which would enable, in turn, a new era for computational systems owing to the possibility of attaining high bandwidths with much reduced power consumption. This perspective is focused on recent progress in the implementation of functional oxide thinfilms into photovoltaic and neuromorphic applications towards the envisioned goal of selfpowered photovoltaic neuromorphic systems or a solar brain.

show abstract

Section: P-typementioning

confidence: 99%

Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

Pérez‐Tomás

2019

Adv Materials Inter

View full text Add to dashboard Cite

show abstract

“…Among them, delafossite oxides possess unique layered nanostructure of ABO 2 , [29] where A = Cu + or Ag + , B = Al 3 + , Ga 3 + , Co 3 + , Cr 3 + , Fe 3 + , etc. Previous studies demonstrated that delafossite oxides like CuAlO 2 , [30][31][32][33][34] CuCoO 2 , [35,36] CuFeO 2 , [37][38][39] CuGaO 2 [27,40,41] and CuCrO 2 [26,[42][43][44][45] can exhibit flexible chemistry and favorable stability, [46] enabling the promotion of electrocatalytic reactions. [47] As a result, researches about delafossite oxides towards electrocatalytic reactions such as oxygen reduction reaction, [48] oxygen evolution reaction [47,49] and hydrogen evolution reaction [47] have attracted extensive research interest.…”

Section: Introductionmentioning

confidence: 99%

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO₂ on Carbon

et al. 2022

View full text Add to dashboard Cite

Nowadays, the high cost and poor durability of commercial catalyst Pt/C for methanol oxidation reaction have impeded the further development of direct methanol fuel cells. Herein, we firstly introduced a delafossite CuCoO2 to act as the support of noble metal Pt. The strong metal support interaction between Pt and CuCoO2, abundant hydroxide species and active sites on the surface of catalyst may be the key factors for enhanced performances of methanol oxidation. Pt‐CuCoO2/C achieved a mass activity of 1.16 A mgPt−1, which obtained 3.02 times enhancement compared with commercial Pt/C (0.38 A mgPt−1). The If/Ib value of Pt‐CuCoO2/C is 1.96, much higher than that of Pt/C (0.76), demonstrating favorable anti‐poisoning ability. After 200 times cycling, Pt‐CuCoO2/C still maintained 77.1 % of its initial activity, exhibiting superior COads intermediate tolerance and stability. Low cost, better performances and stability of Pt‐CuCoO2/C reveal that it can be seen as a hopeful catalyst.

show abstract

“…The decrease of the band gap with increase in Co or Mg doping concentration in CCO could be due to an increase in the carrier concentration, to downward shifting of conduction band towards valence band, caused by the exchange and correlation among the electrons [7]. It must be noted that more recent works both first-principle calculations [20] and experiments [41] suggest that there is very little effect of Mg doping on the band gap. To explain these discrepancies we will consider in a future work also the Coulomb interaction by the calculation of the electronic energies ω +,− in E g .…”

mentioning

confidence: 98%

“…But the increase of T N in Mg-doped CCO cannot be explained within this classical spin model. Shook et al [20] and Schiavo et al [21] have studied the structural and electronic properties of Mg-doped CCO by the density functional theory. Ion doping effects on the dielectric constant of CCO are reported in [15,[22][23][24][25][26].…”

mentioning

confidence: 99%

Magnetic, dielectric and optical properties of Al-, Mg-, Co- and Zn-ion–doped CuCrO₂

Apostolova¹,

Apostolov²,

Wesselinowa³

2021

EPL

View full text Add to dashboard Cite

The effects of Al, Mg, Co and Zn ion doping on different properties of multiferroic CuCrO2 are studied using a microscopic model and the Green's function technique. The temperature dependence of the dielectric constant shows a kink near T N . For Al ion doping decreases, for Co it increases, whereas for Mg it has a maximum for . decreases with increasing magnetic field h ab . The magnetization M is reduced with enhancing the Al and Zn doping concentration, whereas by Mg doping M shows a maximum at . The band gap E g increases weakly for Zn doping. It decreases strongly with increasing Co and slightly with increasing Mg doping, which is in good quantitative agreement with the experimental data.

show abstract

Structural stability and electronic properties of XTO2 (X= Cu, Ag; T=Al, Cr): An ab initio study including X vacancies and Mg doping

Cited by 18 publications

References 70 publications

Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO₂ on Carbon

Magnetic, dielectric and optical properties of Al-, Mg-, Co- and Zn-ion–doped CuCrO₂

Contact Info

Product

Resources

About

Structural stability and electronic properties of XTO2 (X= Cu, Ag; T=Al, Cr): An ab initio study including X vacancies and Mg doping

Cited by 18 publications

References 70 publications

Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

Functional Oxides for Photoneuromorphic Engineering: Toward a Solar Brain

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO2 on Carbon

Magnetic, dielectric and optical properties of Al-, Mg-, Co- and Zn-ion–doped CuCrO2

Contact Info

Product

Resources

About

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO₂ on Carbon

Magnetic, dielectric and optical properties of Al-, Mg-, Co- and Zn-ion–doped CuCrO₂