First-principles surface interaction studies of aluminum-copper and aluminum-copper-magnesium secondary phases in aluminum alloys

Silva, Thiago H. da; Nelson, Eric B.; Williamson, Izaak; Efaw, Corey M.; Sapper, Erik D.; Hurley, Michael F.; Li, Lan

doi:10.1016/j.apsusc.2017.12.256

Cited by 22 publications

(5 citation statements)

References 24 publications

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“…Adsorption of water and Cl on Al 2 Cu (001) surface was investigated. 26 It was found that Al surface sites are more energetically favorable for Cl − ions and water than copper sites. Finally, we mention that some recent theoretical papers have studied the semi-coherent Al//Al All these studies, albeit giving interesting qualitative information, did not consider a real oxide covering the Al 2 Cu(Mg) and Al surfaces.…”

mentioning

confidence: 99%

Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT

Cornette

Costa

Marcus

2020

J. Electrochem. Soc.

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We performed a DFT modelling of Al2O3(001)/Al(001) and Al2O3(001)/Al2Cu(001) surfaces and of Al(010)/Al2Cu(010) interfaces covered with Al2O3(001). We focus on the electronic properties (work function, valence band and electronic gap) computed for the different models. We show that both on Al and Al2Cu, the oxide layer induces a significant increase in work function. The effect of the composition of the first metallic layer underneath the oxide film is also investigated. Cu enrichment under the oxide film induces an increase in work function, however less marked than the one caused by the oxide layer. We show that the work function increase is due to a charge transfer from the interfacial metal layer to the oxide layer. The same result is found at the oxidized Al(010)//Al2Cu(010) interface. The work function of the oxidized Al2Cu zone is higher than the one of oxidized Al.

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mentioning

confidence: 99%

Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT

Cornette

Costa

Marcus

2020

J. Electrochem. Soc.

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“…The lifetime enhancement may be attributed to the incorporation of copper that helped prevent the formation of high spikes during the deposition of the cathode and slow down the growth of the spikes during operation. The latter may be resulted from the mitigation of electromigration upon copper doping as revealed by the literature. − …”

Section: Resultsmentioning

confidence: 99%

Minor Copper-Doped Aluminum Alloy Enabling Long-Lifetime Organic Light-Emitting Diodes

Lin

Huang

Tsai

et al. 2022

ACS Appl. Mater. Interfaces

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Aluminum has been extensively used as a conductor material in numerous electronic devices, including solar cells, light-emitting diodes (LEDs), organic LEDs (OLEDs), and thin-film transistors. However, its spiking surface and easy electromigration have limited its performance. To overcome this, a trace amount of nonprecious copper dopant has been proven effective in enhancing device reliability. Nevertheless, a comprehensive investigation regarding the effect of copper doping on the morphology at the aluminum conductor−organic interface is yet to be done. We had hence fabricated a series of green OLED devices to probe how copper doping affected the aluminum conductor, morphologically and electrically, and the corresponding device's efficiency and lifetime performance. We found 4 wt % copper doping to be highly effective in enabling a spike-less and smoother aluminum interface, which in turn enabled the fabrication of devices with much higher efficiency and lifetime. Specifically, the corresponding power efficacy at 1000 cd/m 2 was increased from 32 to 42 lm/W and the lifetime increased from 75 to 263 h, an increment of 250%. Atomic force microscopy confirmed that the copper doping did help smooth out the conductor interface as deposited and reduce electromigration upon operation.

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“…These insights can help reveal the interfacial behavior between the coatings and metal surface, and help manufacture the favorable anticorrosion coatings [ 110 , 111 ]. Based on the excellent ability of MD simulation in terms of providing useful nanoscale information, it is believed that MD will be an efficient method to provide insight into the corrosion mechanisms and enlighten anticorrosion strategies of aluminum its alloy on a short time scale [ 112 ].…”

Section: Future Outlookmentioning

confidence: 99%

Deterioration Mechanisms and Advanced Inspection Technologies of Aluminum Windows

2022

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Aluminum windows are crucial components of building envelopes since they connect the indoor space to the external environment. Various external causes degrade or harm the functioning of aluminum windows. In this regard, inspecting the performance of aluminum windows is a necessary task to keep buildings healthy. This review illustrates the deterioration mechanisms of aluminum windows under various environmental conditions with an intention to provide comprehensive information for developing damage protection and inspection technologies. The illustrations reveal that moisture and chloride ions have the most detrimental effect on deteriorating aluminum windows in the long run, while mechanical loads can damage aluminum windows in a sudden manner. In addition, multiple advanced inspection techniques potential to benefit assessing aluminum window health state are discussed in order to help tackle the efficiency problem of traditional visual inspection. The comparison among those techniques demonstrates that infrared thermography can help acquire a preliminary defect profile of inspected windows, whereas ultrasonic phased arrays technology demonstrates a high level of competency in analyzing comprehensive defect information. This review also discusses the challenges in the scarcity of nanoscale corrosion information for insightful understandings of aluminum window corrosion and reliable window inspection tools for lifespan prediction. In this regard, molecular dynamics simulation and artificial intelligence technology are recommended as promising tools for better revealing the deterioration mechanisms and advancing inspection techniques, respectively, for future directions. It is envisioned that this paper will help upgrade the aluminum window inspection scheme and contribute to driving the construction of intelligent and safe cities.

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First-principles surface interaction studies of aluminum-copper and aluminum-copper-magnesium secondary phases in aluminum alloys

Cited by 22 publications

References 24 publications

Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT

Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT

Minor Copper-Doped Aluminum Alloy Enabling Long-Lifetime Organic Light-Emitting Diodes

Deterioration Mechanisms and Advanced Inspection Technologies of Aluminum Windows

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