Publications from the MultIChem Action

The following publications have been produced by the MultIChem members related to the topic of the Action and acknowledging it:

Roadmap paper

  • A.V. Solov'yov, A.V. Verkhovtsev, N.J. Mason, R.A. Amos, I. Bald, G. Baldacchino, B. Dromey, M. Falk, J. Fedor, L. Gerhards, M. Hausmann, G. Hildenbrand, M. Hrabovský, S. Kadlec, J. Kocišek, F. Lépine, S. Ming, A. Nisbet, K. Ricketts, L. Sala, T. Schlathölter, A. Wheatley, and I.A. Solov'yov, Condensed matter systems exposed to radiation: Multiscale theory, simulations, and experiment, Chemical Reviews 124 (2024) 8014-8129

2024

  • C.P. Souza and F. Fantuzzi, Computational Strategies for Modelling Excited States in Organometallic Chemistry, in RSC SPR Organometallic Chemistry (in print)
  • F. Izadi, T.F.M. Luxford, B. Sedmidubská, E. Arthur-Baidoo, J. Kočišek, M. Ončák, and S. Denifl, Dissociative electron attachment dynamics of a promising cancer drug indicates its radiosensitizing potential, Angew. Chem. Int. Ed. 63 (2024) e202407469
  • R. Rácz, S.T.S. Kovács, G. Lakatos, K.K. Rahul, D.V. Mifsud, P. Herczku, B. Sulik, Z. Juhász, Z. Perduk, S. Ioppolo, N.J. Mason, T.A. Field, S. Biri, and R.W. McCullough, AQUILA: A laboratory facility for the irradiation of astrochemical ice analogs by keV ions, Rev. Sci. Instrum. 95 (2024) 095105
  • J. Cui, Y. He, C.P. Souza, J. Weiser, M. Dietz, I. Krummenacher, R.D. Dewhurst, H. Braunschweig, and F. Fantuzzi, Single-electron oxidation, chloride abstraction, and hydride-induced decomposition of a dichloro-bis(germylene), Eur. J. Inorg. Chem. e202400422 (2024) (accepted article)
  • T.J. Wasowicz, M.K. Jurkowski, A.L. Harris, and I. Ljubić, Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran, J. Chem. Phys. 161 (2024) 064304
  • M.S. Dimitrijević, Stark broadening of Cu II spectral lines, Phys. Scr. 99 (2024) 105616
  • P.E. Ibañez-Almaguer, G. Rojas-Lorenzo, M. Márquez-Mijares, J. Rubayo-Soneira, G.B. Sushko, A.V. Korol, and A.V. Solov'yov, Simulation of deflection and photon emission of ultra-relativistic electrons and positrons in a quasi-mosaic bent silicon crystal, J. Phys. B: At. Mol. Opt. Phys. 57 (2024) 175203
  • J. Zhang, A.T. Muiña, D.V. Mifsud, Z. Kaňuchová, K. Cielinska, P. Herczku, K.K. Rahul, S.T.S. Kovács, R. Rácz, J.C. Santos, A.T. Hopkinson, L. Craciunescu, N.C. Jones, S.V. Hoffmann, S. Biri, I. Vajda, I. Rajta, A. Dawes, B. Sivaraman, Z. Juhász, B. Sulik, H. Linnartz, L. Hornekær, F. Fantuzzi, N.J. Mason, and S. Ioppolo, A systematic IR and VUV spectroscopic investigation of ion, electron, and thermally processed ethanolamine ice, Monthly Notices of the Royal Astronomical Society 533 (2024) 826–840
  • T.J. Wasowicz, Probing luminescence in the collisions of furan molecules with dihydrogen cations using collision-induced emission spectroscopy, Romanian J. Phys. (2024) (accepted article)
  • R. Rodrigues, D. Bou Debes, M. Mendes, P. Guerra, G. Mestre, S. Eden, L.M. Cornetta, O. Ingólfsson, and F. Ferreira da Silva, Experimental and theoretical study on electron ionization and fragmentation of propylene oxide ─ the first chiral molecule detected in the interstellar medium, J. Phys. Chem. A 128 (2024) 4795-4805
  • M.D. Dickers, G.B. Sushko, A.V. Korol, N.J. Mason, F. Fantuzzi, and A.V. Solov'yov, Dopant concentration effects on Si1-xGex crystals for emerging light-source technologies: a molecular dynamics study, Eur. Phys. J. D 78 (2024) 77
  • D.V. Mifsud, P. Herczku, R. Ramachandran, P. Sundararajan, K.K. Rahul, S.T.S. Kovács, B. Sulik, Z. Juhász, R. Rácz, S. Biri, Z. Kaňuchová, S. Ioppolo, B. Sivaraman, R.W. McCullough, and N.J. Mason, A systematic mid-infrared spectroscopic study of thermally processed H2S ices, Spectrochim. Acta A 319 (2024) 124567
  • K. Li, J. Ďurana, B. Kocábková, A. Pysanenko, Y. Yan, M. Ončák, M. Fárník, and J. Lengyel, Hydrated formic acid clusters and their interaction with electrons, ChemPhysChem 25 (2024) e202400071
  • D.V. Mifsud, Z. Kanuchová, P. Herczku, Z. Juhász, S.T.S. Kovács, G. Lakatos, K.K. Rahul, R. Rácz, B. Sulik, S. Biri, I. Rajta, I. Vajda, S. Ioppolo, R.W. McCullough, and N.J. Mason, Sulphur ion implantation into O2, CO, and CO2 ices: Implications for the formation of sulphur-bearing molecules in the Kuiper Belt, Icarus 411 (2024) 115926
  • A. Istlyaup, L. Myasnikova, D. Sergeyev, M. Konuhova, and A.I. Popov, Computer simulation of the density of states and band structure of NaF nanotubes, Low Temp. Phys. 50 (2024) 569-573
  • P. Wierzbicka, H. Abdoul-Carime, and J. Kopyra, Fragmentation of 5-fluorouridine induced by low energy (< 12 eV) electrons: insights into the radiosensitization of DNA, Phys. Chem. Chem. Phys. 26 (2024) 8761-8766
  • L. Sala, A. Zerolová, V. Vizcaino, A. Mery, A. Domaracka, H. Rothard, Ph. Boduch, D. Pinkas, and J. Kocišek, Ion beam processing of DNA origami nanostructures, Beilstein J. Nanotechnol. 15 (2024) 207-214
  • A. Platonenko, V. Pankratov, E.A. Kotomin, A. Dauletbekova, and A.I. Popov, Ab initio study on the vibrational and electronic properties of radiation-induced defects in potassium bromide, Crystals 14 (2024) 161
  • B. Gaković, M. Zamfirescu, P. Panjan, C. Luculescu, C. Albu, and S. Petrović, Laser ablation and LIPSS formation at static and dynamic multi-pulse regime on protective Al2O3/TiAlN coating, Opt. Quant. Electron. 56 (2024) 555

2023

  • A. Sevcik, Z. Rinkevicius, and D. Adliene, Radiation-driven polymerisation of methacrylic acid in aqueous solution: A chemical events Monte Carlo study, Gels 9 (2023) 947
  • C.A. Rosa, A. Bergatini, P. Herczku, D.V. Mifsud, G. Lakatos, S.T.S. Kovács, B. Sulik, Z. Juhász, S. Ioppolo, H.M. Quitián-Lara, N.J. Mason, and C. Lage, Infrared spectral signatures of nucleobases in interstellar ices I: Purines, Life 13 (2023) 2208
  • J. Kopyra and H. Abdoul-Carime, Fragmentation of metal(II) bis(acetylacetonate) complexes induced by slow electrons, Beilstein J. Nanotechnol. 14 (2023) 980-987
  • D.V. Mifsud, P. Herczku, K.K. Rahul, R. Ramachandran, P. Sundararajan, S.T.S. Kovács, B. Sulik, Z. Juhász, R. Rácz, S. Biri, Z. Kaňuchová, R.W. McCullough, B. Sivaraman, S. Ioppolo, and N.J. Mason, A systematic mid-infrared spectroscopic study of thermally processed SO2 ices, Phys. Chem. Chem. Phys. 25 (2023) 26278-26288
  • A.V. Verkhovtsev, Y. Erofeev, and A.V. Solov'yov, Mechanisms of radiation-induced structural transformations in deposited gold clusters, Phys. Rev. B 108 (2023) 115423
  • Y. Suchikova, S. Kovachov, I. Bohdanov, A.A. Abdikadirova, I. Kenzhina, and A.I. Popov, Electrochemical growth and structural study of the AlxGa1−xAs nanowhisker layer on the GaAs surface, J. Manuf. Mater. Process. 7 (2023) 153
  • M.D. Dickers, A.V. Verkhovtsev, N.J. Mason, and A.V. Solov’yov, Atomistic modelling and structural characterisation of coated gold nanoparticles for biomedical applications, Eur. Phys. J. D 77 (2023) 141
  • Y. Suchikova, S. Kovachov, I. Bohdanov, Z.T. Karipbaev, V. Pankratov, and A.I. Popov, Study of the structural and morphological characteristics of the CdxTeyOz nanocomposite obtained on the surface of the CdS/ZnO heterostructure by the SILAR method, Appl. Phys. A 129 (2023) 499
  • W. Wu, A.V. Verkhovtsev, T. Pavloudis, A.V. Solov'yov, and R.E. Palmer, Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formation, Nano Research 16 (2023) 10500-10506
  • B. Andreides, A.V. Verkhovtsev, J. Fedor, and A.V. Solov’yov, Role of the molecular environment in quenching the irradiation-driven fragmentation of Fe(CO)5: A reactive molecular dynamics study, J. Phys. Chem. A 127 (2023) 3757-3767
  • A. Prosvetov, A.V. Verkhovtsev, G. Sushko, and A.V. Solov'yov, Atomistic modeling of thermal effects in focused electron beam-induced deposition of Me2Au(tfac), Eur. Phys. J. D 77 (2023) 15

2022

  • F. Jungwirth, F. Porrati, D. Knez, M. Sistani, H. Plank, M. Huth, and S. Barth, Focused ion beam vs focused electron beam deposition of cobalt silicide nanostructures using single-source precursors: Implications for nanoelectronic gates, interconnects, and spintronics, ACS Appl. Nano Mater. 5 (2022) 14759-14770
  • I.A. Solov'yov, G. Sushko, I. Friis, and A.V. Solov'yov, Multiscale modeling of stochastic dynamics processes with MBN Explorer, J. Comput. Chem. 43 (2022) 1442-1458
  • A. Prosvetov, A.V. Verkhovtsev, G. Sushko, and A.V. Solov'yov, Atomistic simulation of the FEBID-driven growth of iron-based nanostructures, Phys. Chem. Chem. Phys. 24 (2022) 10807-10819
  • T.J. Wasowicz, Formation of OH radicals as evidence of intramolecular hydrogen migration in cation-induced dissociation of furan molecules, Romanian J. Phys. 67(5-6) (2022) 206
  • W. Wu, T. Pavloudis, A.V. Verkhovtsev, A.V. Solov'yov, and R.E. Palmer, Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks, Nanotechnology 33 (2022) 275602
  • A.V. Verkhovtsev, A. Nichols, N.J. Mason, and A.V. Solov'yov, Molecular dynamics characterization of radiosensitizing coated gold nanoparticles in aqueous environment, J. Phys. Chem. A 126 (2022) 2170-2184