Influence of ion irradiation-induced defects on phase formation and thermal stability of Ti0.27Al0.21N0.52 coatings

Holzapfel, Damian M.; Mušić, Denis; Mráz, Stanislav; Aghda, Soheil Karimi; Etter, Martin; Ondračka, Pavel; Hans, Marcus; Bogdanovski, Dimitri; Evertz, Simon; Patterer, Lena; Schmidt, Paul; Schökel, Alexander; Eriksson, Anders; Arndt, M.; Primetzhofer, Daniel; Schneider, Jochen M.

doi:10.1016/j.actamat.2022.118160

Cited by 12 publications

(5 citation statements)

References 68 publications

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“…For all three material systems, an acceleration voltage of 10 kV was applied. Due to the overlapping Ti Lα and N Kα signals, elastic-recoil detection analyzed TiN [41] and TiAlN [42] standards were used for the chemical quantification of the respective thin films.…”

Section: Methodsmentioning

confidence: 99%

Bond formation at polycarbonate | X interfaces (X = Ti, Al, TiAl) probed by X-ray photoelectron spectroscopy and density functional theory molecular dynamics simulations

Patterer

Ondračka

Bogdanovski

et al. 2022

Applied Surface Science

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Section: Methodsmentioning

confidence: 99%

Bond formation at polycarbonate | X interfaces (X = Ti, Al, TiAl) probed by X-ray photoelectron spectroscopy and density functional theory molecular dynamics simulations

Patterer

Ondračka

Bogdanovski

et al. 2022

Applied Surface Science

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“…For all three material systems, an acceleration voltage of 10 kV was applied. Due to the overlapping Ti Lα and N Kα signals, elastic‐recoil detection analyzed TiN [ 45 ] and (Ti,Al)N [ 46 ] standards were used for the chemical quantification of the respective thin films.…”

Section: Methodsmentioning

confidence: 99%

Correlative Theoretical and Experimental Study of the Polycarbonate | X Interfacial Bond Formation (X = AlN, TiN, (Ti,Al)N) During Magnetron Sputtering

Patterer

Ondračka

Bogdanovski

et al. 2023

Adv Materials Inter

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To understand the interfacial bond formation between polycarbonate (PC) and magnetron‐sputtered metal nitride thin films, PC | X interfaces (X = AlN, TiN, (Ti,Al)N) are comparatively investigated by ab initio simulations as well as X‐ray photoelectron spectroscopy. The simulations predict significant differences at the interface as N and Ti form bonds with all functional groups of the polymer, while Al reacts selectively only with the carbonate group of pristine PC. In good agreement with simulations, experimental data reveal that the PC | AlN and the PC | (Ti,Al)N interfaces are mainly defined by interfacial C─N bonds, whereas for PC | TiN, the interface formation is also characterized by numerous C─Ti and (C─O)─Ti bonds. Bond strength calculations combined with the measured interfacial bond density indicate the strongest interface for PC | (Ti,Al)N followed by PC | AlN, whereas the weakest is predicted for PC | TiN due to its lower density of strong interfacial C─N bonds. This study shows that the employed computational strategy enables prediction of the interfacial bond formation between PC and metal nitrides and that it is reasonable to assume that the research strategy proposed herein can be readily adapted to other organic | inorganic interfaces.

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“…The concentration of such lattice defects can also be increased through the accelerated N 2 + . This effect is clearly observed upon increasing bias voltage (and hence ion energy) up to 60 V. Other point defects like Frenkel pairs (i.e., nitrogen atoms dislocated from their original sites to the interstitial sites) can also increase the lattice parameter [40], yet, unlike interstitial atoms, they preserve the stoichiometry. Also Schottky defects, though decreasing the lattice parameter, cannot be ruled out as they generally have a relatively low energy of formation [41][42][43].…”

Section: Atomic Structurementioning

confidence: 96%

High-Power-Density Sputtering of Industrial-Scale Targets: Case Study of (Al,Cr)N

Klimashin,

Kluson,

Učík

et al. 2023

Preprint

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Influence of ion irradiation-induced defects on phase formation and thermal stability of Ti0.27Al0.21N0.52 coatings

Cited by 12 publications

References 68 publications

Bond formation at polycarbonate | X interfaces (X = Ti, Al, TiAl) probed by X-ray photoelectron spectroscopy and density functional theory molecular dynamics simulations

Bond formation at polycarbonate | X interfaces (X = Ti, Al, TiAl) probed by X-ray photoelectron spectroscopy and density functional theory molecular dynamics simulations

Correlative Theoretical and Experimental Study of the Polycarbonate | X Interfacial Bond Formation (X = AlN, TiN, (Ti,Al)N) During Magnetron Sputtering

High-Power-Density Sputtering of Industrial-Scale Targets: Case Study of (Al,Cr)N

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