Thermal oxidation of the intermetallic phases Al 8 Mo 3 and AlMo 3

Oster, Michael; Tapp, Joshua; Hagenow, Alexander; Möller, Angela

doi:10.1016/j.jssc.2017.04.029

Cited by 3 publications

(2 citation statements)

References 36 publications

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“…The coating with MoO 3 was achieved on the sample upon annealing in air (1 bar). Molybdenum contained in a stainless steel alloy interacts with air forming highly volatile molybdenum oxides . The adsorbed Mo atoms can also diffuse to the bulk of the material, thereby playing the role of a dopant .…”

Section: Methodsmentioning

confidence: 99%

“…Molybdenum contained in a stainless steel alloy interacts with air forming highly volatile molybdenum oxides. 26 The adsorbed Mo atoms can also diffuse to the bulk of the material, thereby playing the role of a dopant. 23 The chemical composition and electronic structure/properties of the as prepared LiCoPO 4 films were first analyzed in situ using photoelectron spectroscopy (XPS and UPS) in the Darmstadt Integrated System for Battery Research (DAISY-BAT).…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

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Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries

Cherkashinin

Eilhardt

Nappini

et al. 2021

ACS Appl. Mater. Interfaces

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The intrinsic stability of the 5 V LiCoPO 4 −LiCo 2 P 3 O 10 thin-film (carbon-free) cathode material coated with MoO 3 thin layer is studied using a comprehensive synchrotron electron spectroscopy in situ approach combined with firstprinciple calculations. The atomic−molecular level study demonstrates fully reversible electronic properties of the cathode after the first electrochemical cycle. The polyanionic oxide is not involved in chemical reactions with the fluoroethylene-containing liquid electrolyte even when charged to 5.1 V vs Li + /Li. The high stability of the cathode is explained on the basis of the developed energy level model. In contrast, the chemical composition of the cathode−electrolyte interface evolves continuously by involving MoO 3 in the decomposition reaction with consequent leaching of oxide from the surface. The proposed mechanisms of chemical reactions are attributed to external electrolyte oxidation via charge transfer from the relevant electron level to the MoO 3 valence band state and internal electrolyte oxidation via proton transfer to the solvents. This study provides a deeper insight into the development of both a doping strategy to enhance the electronic conductivity of high-voltage cathode materials and an efficient surface coating against unfavorable interfacial chemical reactions. KEYWORDS: LiCoPO 4 5 V cathode material for Li ion batteries, LiCo 2 P 3 O 10 , MoO 3 , electronic structure, SPES and XANES, DFT calculations

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Section: Methodsmentioning

confidence: 99%

Section: ■ Experimental Sectionmentioning

confidence: 99%

Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries

Cherkashinin

Eilhardt

Nappini

et al. 2021

ACS Appl. Mater. Interfaces

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First-Principles Investigation of the Structural, Mechanical, and Thermodynamic Properties of Hexagonal and Cubic MoAl5 Alloy

Pan

2021

J. of Materi Eng and Perform

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The improvement in overall properties is a big challenge for the development of high-temperature materials. The refractory Al-rich MoAl 5 is a potential high temperature alloy due to the excellent oxidation resistance and high mechanical properties. However, the correlation between structural and overall properties of MoAl 5 is unclear. In this work, the structural stability, elastic and thermodynamic properties of MoAl 5 are studied by the first-principles calculations. Two phases: hexagonal and cubic structures, are considered. The result shows that the hexagonal MoAl 5 is a table phase. Compared to the cubic MoAl 5 , the hexagonal MoAl 5 exhibits high bulk modulus, shear modulus and Young modulus due to the strong localized hybridization between Mo and Al. Here, it is found that the calculated bulk modulus, shear modulus and Young modulus of the hexagonal MoAl 5 are 119, 98 and 230GPa. Finally, the high temperature thermodynamic properties of MoAl 5 are related to the vibration of Al atom and Al-Mo bond, which is demonstrated by the density of state and chemical bonding.

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Cyclic oxidation behavior of MoAlB in the temperature range 450–850 °C

Mou

Yao

et al. 2020

Journal of Alloys and Compounds

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Thermal oxidation of the intermetallic phases Al 8 Mo 3 and AlMo 3

Cited by 3 publications

References 36 publications

Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries

Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries

First-Principles Investigation of the Structural, Mechanical, and Thermodynamic Properties of Hexagonal and Cubic MoAl5 Alloy

Cyclic oxidation behavior of MoAlB in the temperature range 450–850 °C

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