Multiscale simulation of the focused electron beam induced deposition process

Abstract

Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack of molecular-level understanding of the underlying irradiation-driven chemistry (IDC). Computational modelling is a tool to comprehend and further optimise FEBID-related technologies. Here we utilise a novel multiscale methodology which couples Monte Carlo simulations for radiation transport with irradiation-driven molecular dynamics for simulating IDC with atomistic resolution. Through an in depth analysis of W(CO)${}_6$ deposition on SiO${}_2$ and its subsequent irradiation with electrons, we provide a comprehensive description of the FEBID process and its intrinsic operation. Our analysis reveals that these simulations deliver unprecedented results in modelling the FEBID process, demonstrating an excellent agreement with available experimental data of the simulated nanomaterial composition, microstructure and growth rate as a function of the primary beam parameters.

Main text: 9 pages, 4 figures; Supplementary information: 11 pages, 6 figures, 1 table

References in corpus (9)

• Focused electron beam induced deposition meets materials science
• The role of metal ions in X-ray induced photochemistry
• Transient electrical conductivity of W-based electron beam induced deposits during growth, irradiation and exposure to air
• Electron inelastic mean free paths in condensed matter down to a few electronvolts
• Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology
• Secondary electron emission and yield spectra of metals from Monte Carlo simulations and experiments
• Superconducting nanowires by electron-beam-induced deposition
• Reactive molecular dynamics simulations of organometallic compound W(CO)6 fragmentation
• Interaction of W(CO)${}_6$ with SiO${}_2$ Surfaces -- A Density Functional Study

Cited by in corpus (9)

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• Irradiation driven molecular dynamics: A review
• Atomistic simulation of the FEBID-driven growth of iron-based nanostructures
• Irradiation driven molecular dynamics simulation of the FEBID process for Pt(PF${}_3$)${}_4$
• Atomistic modeling of thermal effects in focused electron beam induced deposition of Me${}_2$Au(tfac)
• Role of the molecular environment in quenching the irradiation-driven fragmentation of Fe(CO)${}_5$: a reactive molecular dynamics study
• Advances in multiscale modeling for novel and emerging technologies
• Computational characterization of novel nanostructured materials: A case study of NiCl${}_2$