https://doi.org/10.1140/epjs/s11734-021-00190-1
Regular Article
Efficient tampering of a coulomb exploding cluster embedded in a hydrogen shell
1
Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC), P.K. 1072, 20080, Donostia, Spain
2
IKERBASQUE, Basque Foundation for Science, 48011, Bilbao, Spain
3
Department of Physics and Astronomy, Aarhus University, 8000, Aarhus C, Denmark
4
Department of Physics, Indian Institute of Technology, Madras, 600 036, Chennai, India
Received:
30
March
2021
Accepted:
31
May
2021
Published online:
11
June
2021
Based on molecular dynamics (MD) simulations, we explore the efficiency of molecular hydrogen as a tamper material in X-ray diffraction imaging of single nanoparticles. An 
cluster serves as a model system for a nanoparticle which is embedded in a hydrogen shell of various sizes. The MD model accounts for the initial photoionization and Auger electron emission of the core, the secondary field and impact ionizations in the core and in the tamper shell, and the neutralization of the electron deficiency in the core by the fast migration of electrons from the tamper shell to the core. We find that a low first ionization potential is crucial for a massive electron migration and thus for the efficiency of the tamper material. Accordingly, hydrogen is a much more efficient tamper material than the isoelectronic helium, for which we have performed comparative simulations. To fully exploit the tamper effect of hydrogen, the core must be completely embedded by the tamper shell. In this context, it is encouraging that Kuma et al. (J Phys. Chem. A 115, 7392 (2011) showed that it is possible to coat a sample by hydrogen inside helium nanodroplets. While water with its even lower first ionization potential is the natural tamper material for biological samples, hydrogen could be an alternative in material science.
© The Author(s), under exclusive licence to EDP Sciences, Springer-Verlag GmbH Germany, part of Springer Nature 2021
