Irradiation driven nanofabrication: computational modelling versus experiment

Información del proyecto

RADON

Identificador del acuerdo de subvención: 872494

DOI

10.3030/872494

Proyecto cerrado

Fecha de la firma de la CE 27 Noviembre 2019

Fecha de inicio 1 Enero 2020

Fecha de finalización 31 Julio 2025

Financiado con arreglo a

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Coste total

€ 547 400,00

Aportación de la UE

€ 547 400,00

Coordinado por

MBN RESEARCH CENTER GGMBH
Germany

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Documents, reports (5)

Results of IDMD and kMC simulations of FEBID processes with fully validated sets of parameters

Refining the parameters of the IDMD and kMC models using the feedback from the validation studies in T2.1-2.4. Benchmarking of the atomistic level IDMD and kMC simulations of the FEBID processes with fully validated sets of parameters, accounting for thermal effects, charge transfer effects, and for irradiation effects due to SEs and BSEs. Demonstration of the capacities of the developed tools to the EU research community and broad industrial communities in the field of irradiation-induced nanofabrication

Mid-term meeting

Midterm meeting will be organized for evaluation of the project progress

Validation of the parameters for modelling temperature and charge transfer effects, fluxes of secondary and backscattered electrons

Validation of IDMD simulations of the growth of Au, Ag, Pt, W, Fe, Cu, Co nanostructures in FEBID experiments. This will include analysis of fragmentation of adsorbates upon electron irradiation and identification of potentially volatile and non-volatile fragments during the replenishment stages to predict composition in FEBID material and properties when using a specific precursor. Validated data sets to be uploaded into the database

First year progress report

Project progress report

Third year progress report

Progress report

Data sets, microdata, etc (1)

"The ""IDMD/FEBID"" node of the RADAM/MBN RC database"

Collection and advertisement of RADON database with the validated data on the FEBID, IDMD and kMC modelling, simulated nanosystems characterisation, simulation parameters and all related data, as well as corresponding experimental data

Publicaciones

Other (2)

Topical issue “Dynamics of systems on the nanoscale (2021)” (Editorial)

Autores: A.V. Verkhovtsev, V. Guidi, N.J. Mason, A.V. Solov’yov
Publicado en: Eur. Phys. J. D, Edición 77, 2023, Página(s) 83, ISSN 1434-6060
Editor: Springer
DOI: 10.1140/epjd/s10053-023-00660-2

Stochastic dynamics simulation of the focused electron beam induced deposition process

Autores: I.A. Solov’yov, A. Prosvetov, G. Sushko, A.V. Solov’yov
Publicado en: 2025
Editor: Cornell University

Peer reviewed articles (27)

Topological and Fractal Analysis of Nanostructured Metal–Dielectric Films

Autores: Ivan Bolesta, Oleksii Kushnir, Ivan Karbovnyk, Halyna Klym, Marina Konuhova, Anatoli I. Popov
Publicado en: Applied Sciences, Edición 15, 2025, Página(s) 3250, ISSN 2076-3417
Editor: MDPI AG
DOI: 10.3390/app15063250

Atomistic simulation of the FEBID-driven growth of iron-based nanostructures

Autores: Prosvetov, Alexey; Verkhovtsev, Alexey V.; Sushko, Gennady; Solov'yov, Andrey V.
Publicado en: Phys. Chem. Chem. Phys., Edición 24, 2022, Página(s) 10807, ISSN 1463-9084
Editor: Royal Society of Chemistry
DOI: 10.1039/d2cp00809b

Predicting dipole orientations in spontelectric methyl formate

Autores: C. Kexel and A.V. Solov’yov
Publicado en: EPJD, Edición 75, 2021, Página(s) 89, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/s10053-021-00098-4

Advances in multiscale modeling for novel and emerging technologies

Autores: A.V. Verkhovtsev, I.A. Solov’yov, A.V. Solov’yov
Publicado en: EPJD, Edición 75, 2021, Página(s) 209, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/s10053-021-00213-5

Modeling of the Lattice Dynamics in Strontium Titanate Films of Various Thicknesses: Raman Scattering Studies

Autores: Veera Krasnenko, Alexander Platonenko, Aleksandr Liivand, Leonid L. Rusevich, Yuri A. Mastrikov, Guntars Zvejnieks, Maksim Sokolov, Eugene A. Kotomin
Publicado en: Materials, Edición 16, 2025, Página(s) 6207, ISSN 1996-1944
Editor: MDPI Open Access Publishing
DOI: 10.3390/ma16186207

Molecular dynamics simulations of sodium nanoparticle deposition on magnesium oxide

Autores: Fortouna, Yannick; de Vera, Pablo; Verkhovtsev, Alexey; Solov'yov, Andrey V.
Publicado en: Theor. Chem. Acc., Edición 140, 2021, Página(s) 84, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1007/s00214-021-02780-7

Mechanisms of radiation-induced structural transformations in deposited gold clusters

Autores: A.V. Verkhovtsev, Yu. Erofeev, and A.V. Solov'yov
Publicado en: Physical Review B, Edición 108, 2023, Página(s) 115423, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1103/physrevb.108.115423

Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment

Autores: Andrey V. Solov’yov, Alexey V. Verkhovtsev, Nigel J. Mason, Richard A. Amos, Ilko Bald, Gérard Baldacchino, Brendan Dromey, Martin Falk, Juraj Fedor, Luca Gerhards, Michael Hausmann, Georg Hildenbrand, Miloš Hrabovský, Stanislav Kadlec, Jaroslav Kočišek, Franck Lépine, Siyi Ming, Andrew Nisbet, Kate Ricketts, Leo Sala, Thomas Schlathölter, Andrew E. H. Wheatley, Ilia A. Solov’yov
Publicado en: Chemical Reviews, Edición 124, 2024, Página(s) 8014-8129, ISSN 0009-2665
Editor: American Chemical Society
DOI: 10.1021/acs.chemrev.3c00902

Advanced Synthesis and Characterization of CdO/CdS/ZnO Heterostructures for Solar Energy Applications

Autores: Yana Suchikova, Sergii Kovachov, Ihor Bohdanov, Zhakyp T. Karipbayev, Yaroslav Zhydachevskyy, Anastasiia Lysak, Vladimir Pankratov, Anatoli I. Popov
Publicado en: Materials, Edición 17, 2025, Página(s) 1566, ISSN 1996-1944
Editor: MDPI Open Access Publishing
DOI: 10.3390/ma17071566

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

Autores: Assel Istlyaup, Ainur Duisenova, Lyudmila Myasnikova, Daulet Sergeyev, Anatoli I. Popov
Publicado en: Inorganics, Edición 11, 2023, Página(s) 55, ISSN 2304-6740
Editor: MDPI AG
DOI: 10.3390/inorganics11020055

Atomistic modeling of thermal effects in focused electron beam induced deposition of Me$_2$Au(tfac)

Autores: Alexey Prosvetov; Alexey V. Verkhovtsev; Gennady Sushko; Andrey V. Solov’yov
Publicado en: EPJD, Edición 77, 2023, Página(s) 15, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/s10053-023-00598-5

Soft landing of metal clusters on graphite: a molecular dynamics study

Autores: Alexey V. Verkhovtsev; Yury Erofeev; Andrey V. Solov’yov
Publicado en: EPJD, Edición 74, 2020, Página(s) 205, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/e2020-10258-5

Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formation

Autores: W. Wu, A.V. Verkhovtsev, T. Pavloudis, A.V. Solov’yov, R.E. Palmer
Publicado en: Nano Research, Edición 16, 2023, Página(s) 10500-10506, ISSN 1998-0124
Editor: Tsinghua Univ Press
DOI: 10.1007/s12274-023-5744-5

Atomistic modelling and structural characterisation of coated gold nanoparticles for biomedical applications

Autores: M.D. Dickers, A.V. Verkhovtsev, N.J. Mason, A.V. Solov’yov
Publicado en: Eur. Phys. J. D, Edición 77, 2023, Página(s) 141, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/s10053-023-00726-1

A systematic IR and VUV spectroscopic investigation of ion, electron, and thermally processed ethanolamine ice

Autores: Jin Zhang, Alejandra Traspas Muiña, Duncan V Mifsud, Zuzana Kaňuchová, Klaudia Cielinska, Péter Herczku, K K Rahul, Sándor T S Kovács, Richárd Rácz, Julia C Santos, Alfred T Hopkinson, Luca Craciunescu, Nykola C Jones, Søren V Hoffmann, Sándor Biri, István Vajda, István Rajta, Anita Dawes, Bhalamurugan Sivaraman, Zoltán Juhász, Béla Sulik, Harold Linnartz, Liv Hornekær, Felipe Fant
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 533, 2024, Página(s) 826-840, ISSN 0035-8711
Editor: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stae1860

A refined atomistic model of functionalized self-assembled monolayers on gold: Assessment of force field parameters

Autores: Cauê P. Souza, Alexey V. Verkhovtsev, Nigel J. Mason, Andrey V. Solov’yov, Felipe Fantuzzi
Publicado en: The Journal of Chemical Physics, Edición 163, 2025, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0274290

Molecular dynamics characterisation of radiosensitising coated gold nanoparticles in aqueous environm

Autores: Alexey V. Verkhovtsev, Adam Nichols, Nigel J. Mason, Andrey V. Solov'yov
Publicado en: J. Phys. Chem. A, Edición 126, 2022, Página(s) 2170, ISSN 1520-5215
Editor: ACS
DOI: 10.1021/acs.jpca.2c00489

Release of Neutrals in Electron-Induced Ligand Separation from MeCpPtMe₃: Theory Meets Experiment

Autores: Hlib Lyshchuk, Alexey V. Verkhovtsev, Jaroslav Kočišek, Juraj Fedor, Andrey V. Solov’yov
Publicado en: The Journal of Physical Chemistry A, Edición 129, 2025, Página(s) 2016-2023, ISSN 1089-5639
Editor: American Chemical Society
DOI: 10.1021/acs.jpca.4c08259

Electron beam-based direct writing of nanostructures using a palladium β-ketoesterate complex

Autores: Chinmai Sai Jureddy, Krzysztof Maćkosz, Aleksandra Butrymowicz-Kubiak, Iwona B Szymańska, Patrik Hoffmann, Ivo Utke
Publicado en: Beilstein Journal of Nanotechnology, Edición 16, 2025, Página(s) 530-539, ISSN 2190-4286
Editor: Beilstein-Institut Zur Forderung der Chemischen Wissenschaften
DOI: 10.3762/bjnano.16.41

Decay of iron pentacarbonyl clusters upon interaction with heavy ions

Autores: Leo Sala, Hlib Lyshchuk, Pamir Nag, Patrick Rousseau, Sylvain Maclot, Alicja Domaracka, Jaroslav Kočišek
Publicado en: Physica Scripta, Edición 100, 2025, Página(s) 025402, ISSN 0031-8949
Editor: Royal Swedish Academy of Sciences
DOI: 10.1088/1402-4896/ada205

Atomistic modelling of electron beam induced structural transformations in deposited metal clusters

Autores: Ioannis Bounas, Alexey V. Verkhovtsev, Theodoros Pavloudis, Gennady B. Sushko, Joseph Kioseoglou, Richard E. Palmer, Andrey V. Solov'yov
Publicado en: Nanoscale, Edición 17, 2025, Página(s) 5895-5906, ISSN 2040-3364
Editor: Royal Society of Chemistry
DOI: 10.1039/d4nr04448g

Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks

Autores: W. Wu, T. Pavloudis, A.V. Verkhovtsev, A.V. Solov’yov, R.E. Palmer
Publicado en: Nanotechnology, Edición 33, 2022, Página(s) 275602, ISSN 1361-6528
Editor: IOP Publishing
DOI: 10.1088/1361-6528/ac5e6d

Electronic Structure of Mg-, Si-, and Zn-Doped SnO2 Nanowires: Predictions from First Principles

Autores: Alexander Platonenko, Sergei Piskunov, Thomas C.-K. Yang, Jurga Juodkazyte, Inta Isakoviča, Anatoli I. Popov, Diana Junisbekova, Zein Baimukhanov, Alma Dauletbekova
Publicado en: Materials, Edición 17, 2025, Página(s) 2193, ISSN 1996-1944
Editor: MDPI Open Access Publishing
DOI: 10.3390/ma17102193

Irradiation-driven molecular dynamics: a review.

Autores: A.V. Verkhovtsev, I.A. Solov’yov, A.V. Solov’yov
Publicado en: EPJD, Edición 75, 2021, Página(s) 213, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/s10053-021-00223-3

Electron-induced ligand loss from iron tetracarbonyl methyl acrylate

Autores: Hlib Lyshchuk, Atul Chaudhary, Thomas F M Luxford, Miloš Ranković, Jaroslav Kočišek, Juraj Fedor, Lisa McElwee-White, Pamir Nag
Publicado en: Beilstein Journal of Nanotechnology, Edición 15, 2024, Página(s) 797-807, ISSN 2190-4286
Editor: Beilstein-Institut Zur Forderung der Chemischen Wissenschaften
DOI: 10.3762/bjnano.15.66

Role of the Molecular Environment in Quenching the Irradiation-Driven Fragmentation of Fe(CO)₅: A Reactive Molecular Dynamics Study

Autores: Benjamin Andreides; Alexey V. Verkhovtsev; Juraj Fedor; Andrey V. Solov’yov
Publicado en: J. Phys. Chem. A, Edición 127, 2023, Página(s) 3757, ISSN 1520-5215
Editor: ACS
DOI: 10.1021/acs.jpca.2c08756

Irradiation-driven molecular dynamics simulation of the FEBIDprocess for Pt(PF3)4

Autores: Alexey Prosvetov, Alexey V. Verkhovtsev, Gennady Sushko and Andrey V. Solov’yov
Publicado en: Beilstein J. Nanotechnol., Edición 12, 2021, Página(s) 1151, ISSN 2190-4286
Editor: Beilstein-Institut Zur Forderung der Chemischen Wissenschaften
DOI: 10.3762/bjnano.12.86

Book chapters (1)

Computational strategies for modelling excited states in organometallic chemistry

Autores: Cauê P. Souza, Felipe Fantuzzi
Publicado en: Organometallic Chemistry, 2025, Página(s) 271-316
Editor: Royal Society of Chemistry
DOI: 10.1039/9781837676200-00271