Monte Carlo and kinetic Monte Carlo models for deposition processes: a review of recent works

N Cheimarios, D To, G Kokkoris, G Memos… - Frontiers in …, 2021 - frontiersin.org
Monte Carlo (MC) and kinetic Monte Carlo (kMC) models are widely used for studying the
physicochemical surface phenomena encountered in most deposition processes. This …

Unraveling the mechanisms of carbon nanotube growth by chemical vapor deposition

GP Gakis, S Termine, AFA Trompeta, IG Aviziotis… - Chemical Engineering …, 2022 - Elsevier
The mechanisms of carbon nanotube (CNT) growth by chemical vapor deposition of
acetylene on Fe/SiO 2: Al 2 O 3 (zeolite Y) catalyst are unraveled through a combined …

Multi-parametric analysis of the CVD of CNTs: Effect of reaction temperature, pressure and acetylene flow rate

GP Gakis, EN Skountzos, IG Aviziotis… - Chemical Engineering …, 2023 - Elsevier
The effect of process parameters (temperature, pressure and acetylene flow) during the
chemical vapor deposition of carbon nanotubes (CNTs) on the final product are …

DFT simulation of XPS reveals Cu/epoxy polymer interfacial bonding

T Duguet, A Gavrielides, J Esvan… - The Journal of …, 2019 - ACS Publications
Experiments and computations are performed to assess the interfacial bonding between Cu
and a poly-epoxy surface relevant to many applications. The surface of the poly-epoxy is …

Multiscale modeling in chemical vapor deposition processes: models and methodologies

N Cheimarios, G Kokkoris, AG Boudouvis - Archives of Computational …, 2021 - Springer
Chemical vapor deposition (CVD) is an established process for the production of thin solid
films for industrial and scientific applications for more than 30 years. CVD is a multiscale …

Chemical interactions at the Al/poly-epoxy interface rationalized by DFT calculations and a comparative XPS analysis

K Anand, T Duguet, J Esvan… - ACS Applied Materials …, 2020 - ACS Publications
A metal–polymer interface is pertinent to numerous technological applications, especially in
spatial sectors. The focus of this work is to elaborate on the metallization process of the poly …

Integrating supervised and unsupervised learning approaches to unveil critical process inputs

P Papavasileiou, DG Giovanis, G Pozzetti… - Computers & Chemical …, 2025 - Elsevier
This study introduces a machine learning framework tailored to large-scale industrial
processes characterized by a plethora of numerical and categorical inputs. The framework …

In- and out-plane transport properties of chemical vapor deposited TiO2 anatase films

A Miquelot, L Youssef, C Villeneuve-Faure… - Journal of Materials …, 2021 - Springer
Due to their polymorphism, TiO 2 films are quintessential components of state-of-the-art
functional materials and devices for various applications from dynamic random access …

Investigation of transport processes in a commercial hot wall CVD reactor with multi-substrates for high-quality pyrocarbon deposition

VM Shinde, B Deivendran, H Kumar… - Surface and Coatings …, 2021 - Elsevier
Abstract A 3D CFD model is developed to illustrate the complex reacting flow in the
commercial hot-wall CVD reactor using detailed gas and surface chemistry. This helps to …

TiO2 nanotree films for the production of green H2 by solar water splitting: From microstructural and optical characteristics to the photocatalytic properties

A Miquelot, O Debieu, V Rouessac, C Villeneuve… - Applied Surface …, 2019 - Elsevier
Green H 2 production by solar water splitting relies entirely on the intrinsic properties of the
photocatalyst. In this study the impact of these intrinsic properties on the photocatalytic …