Effect of the molecular weight on the depth profiling of PMMA thin films using low‐energy Cs<sup>+</sup> sputtering

Mabrouk, Amal Ben Hadj; Licitra, C.; Chateauminois, A.; Veillerot, M.

doi:10.1002/sia.6991

Cited by 4 publications

(3 citation statements)

References 37 publications

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“…In contrast, our results are obtained in the so-called static conditions (single impacts). In general, the values shown in Figure correspond to the results obtained with other type I and type II polymers bombarded with atomic projectiles in the kinetic energy range of interest. ,, …”

Section: Resultssupporting

confidence: 77%

“…In general, the values shown in Figure 3 correspond to the results obtained with other type I and type II polymers 20 bombarded with atomic projectiles in the kinetic energy range of interest. 23,57,58 The mass distributions of particles ejected from the investigated systems are shown in Figure 4. Since the emission efficiency does not depend on the overlayer thickness, and the ejection simulated by the Ar and Xe projectiles is similar, only the data for the He and Ar bombarded single-layer and fourlayer systems are shown.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

et al. 2023

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Molecular dynamic computer simulations have been employed to investigate the sputtering process of multilayer poly(3-hexylthiophene) (P3HT) with a layered structure arranged in the Z-direction deposited on a silicon substrate. The sputtering process was induced by low-energy He, Ar, and Xe projectiles. The sputtering yield volume, mass spectra, and structural and chemical damages induced in the bombarded systems are probed depending on the type of projectile and the thickness of the organic overlayer. While most studies are performed with a 500 eV primary kinetic energy and an impact angle of 45°, the effect of these two parameters on the sputtering yield is investigated for the Ar projectile. The main goal is to elucidate the influence of various primary beam properties on the sputtering process and structural and chemical damages occurring in P3HT. The implications of the present results for the chemical analysis of P3HT by secondary ion mass spectrometry (SIMS) or secondary neutral mass spectrometry (SNMS) and low-energy atomic projectiles are discussed. It has been found that the sputtering yield volume is the largest for Ar and the smallest for He. The yield does not depend on the organic overlayer thickness within the computational uncertainty. The number of ejected atoms scaled to the sample atomic density decreases monotonically with depth. Interestingly, the shape of this distribution, known as the information depth distribution, is the same for all investigated projectiles, regardless of their penetration range, which indicates that this quantity is determined by the properties of the sample. Additionally, the projectiles are not deposited equally in the sample volume but are trapped at organic/substrate and interlayer interfaces. The vertical extent of damage is directly related to the projectile range, which is the largest for He and the smallest for Xe. The shape of vertical damage distribution depends in an oscillatory manner on depth. It is shown that the alkyl side chains are mostly damaged. Our results indicate that among all tested projectiles, Ar, followed by Xe, are the best candidates for the chemical analysis of P3HT by SIMS/SNMS techniques.

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Section: Resultssupporting

confidence: 77%

Section: ■ Results and Discussionmentioning

confidence: 99%

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

et al. 2023

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“…For example, it has been reported that the surface roughness and sample temperature may influence sputtering phenomena. 19 , 20 We will investigate this topic in the future.…”

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confidence: 99%

Development of a Charge-Implicit ReaxFF for C/H/O Systems

Kański

Hrabar

Duin

et al. 2022

J. Phys. Chem. Lett.

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Modeling chemical reactions in condensed phases is difficult. Interaction potentials (or force fields) like ReaxFF can perform this modeling with a high overall accuracy, but the disadvantage of ReaxFF is a low simulation speed arising from costly algorithms, in particular charge equilibration. Therefore, we reparametrized ReaxFF to incorporate Coulomb forces into other terms of the force field. Because of this change, our charge-implicit ReaxFF-CHO is >2 times faster than the original parametrization. Despite the lack of explicit electrostatic interactions, our potential can correctly model the reactions and densities of systems containing carbon, hydrogen, and oxygen atoms. We have used the new potential to simulate bombardment of trehalose by water clusters. It has been observed experimentally that these water projectiles can increase the sensitivity of secondary ion mass spectrometry by more than an order of magnitude, but no explanation for this phenomenon was given. Our simulations show that the increase in the intensity of the recorded signal coincides with the emission of trehalose–water complexes.

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Atomic spectrometry update: review of advances in the analysis of metals, chemicals and materials

Carter¹,

Clough

Fisher

et al. 2022

J. Anal. At. Spectrom.

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Effect of the molecular weight on the depth profiling of PMMA thin films using low‐energy Cs⁺ sputtering

Cited by 4 publications

References 37 publications

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

Development of a Charge-Implicit ReaxFF for C/H/O Systems

Atomic spectrometry update: review of advances in the analysis of metals, chemicals and materials

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Effect of the molecular weight on the depth profiling of PMMA thin films using low‐energy Cs+ sputtering

Cited by 4 publications

References 37 publications

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

Sputtering Behavior of P3HT under Low-Energy Monoatomic Projectile Bombardment: Insights from Molecular Dynamics Simulations

Development of a Charge-Implicit ReaxFF for C/H/O Systems

Atomic spectrometry update: review of advances in the analysis of metals, chemicals and materials

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Product

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Effect of the molecular weight on the depth profiling of PMMA thin films using low‐energy Cs⁺ sputtering