Bond Formation at Polycarbonate | X Interfaces (X = Al2O3, TiO2, TiAlO2) Studied by Theory and Experiments

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F24%3A00138697" target="_blank" >RIV/00216224:14310/24:00138697 - isvavai.cz</a>

Výsledek na webu

<a href="https://advanced.onlinelibrary.wiley.com/doi/full/10.1002/admi.202400340" target="_blank" >https://advanced.onlinelibrary.wiley.com/doi/full/10.1002/admi.202400340</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/admi.202400340" target="_blank" >10.1002/admi.202400340</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Bond Formation at Polycarbonate | X Interfaces (X = Al2O3, TiO2, TiAlO2) Studied by Theory and Experiments

Popis výsledku v původním jazyce

Interfacial bond formation during sputter deposition of metal-oxide thin films onto polycarbonate (PC) is investigated by ab initio molecular dynamics simulations and X-ray photoelectron spectroscopy (XPS) analysis of PC|X interfaces (X = Al2O3, TiO2, TiAlO2). Generally, the predicted bond formation is consistent with the experimental data. For all three interfaces, the majority of bonds identified by XPS are (C─O)─metal bonds, whereas C─metal bonds are the minority. Compared to the PC|Al2O3 interface, the PC|TiO2 and PC|TiAlO2 interfaces exhibit a reduction in the measured interfacial bond density by 75 and ∼65%, respectively. Multiplying the predicted bond strength with the corresponding experimentally determined interfacial bond density shows that Al2O3 exhibits the strongest interface with PC, while TiO2 and TiAlO2 exhibit ∼70 and ∼60% weaker interfaces, respectively. This can be understood by considering the complex interplay between the metal-oxide composition, the bond strength, and the population of bonds formed across the interface.

Název v anglickém jazyce

Bond Formation at Polycarbonate | X Interfaces (X = Al2O3, TiO2, TiAlO2) Studied by Theory and Experiments

Popis výsledku anglicky

Interfacial bond formation during sputter deposition of metal-oxide thin films onto polycarbonate (PC) is investigated by ab initio molecular dynamics simulations and X-ray photoelectron spectroscopy (XPS) analysis of PC|X interfaces (X = Al2O3, TiO2, TiAlO2). Generally, the predicted bond formation is consistent with the experimental data. For all three interfaces, the majority of bonds identified by XPS are (C─O)─metal bonds, whereas C─metal bonds are the minority. Compared to the PC|Al2O3 interface, the PC|TiO2 and PC|TiAlO2 interfaces exhibit a reduction in the measured interfacial bond density by 75 and ∼65%, respectively. Multiplying the predicted bond strength with the corresponding experimentally determined interfacial bond density shows that Al2O3 exhibits the strongest interface with PC, while TiO2 and TiAlO2 exhibit ∼70 and ∼60% weaker interfaces, respectively. This can be understood by considering the complex interplay between the metal-oxide composition, the bond strength, and the population of bonds formed across the interface.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20506 - Coating and films

Projekt

<a href="/cs/project/LM2023039" target="_blank" >LM2023039: Centrum výzkumu a vývoje plazmatu a nanotechnologických povrchových úprav</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Advanced Materials Interfaces

ISSN

2196-7350

e-ISSN

—

Svazek periodika

11

Číslo periodika v rámci svazku

30

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

1-12

Kód UT WoS článku

001271291200001

EID výsledku v databázi Scopus

2-s2.0-85198428399