Total and partial electron impact ionization cross sections of fusion-relevant diatomic molecules

SE Huber, A Mauracher, D Süß, I Sukuba… - The Journal of …, 2019 - pubs.aip.org
We report calculations of total (and absolute) electron-impact ionization cross sections
(EICSs) for the fusion-relevant diatomic molecular species BeH, BeN, BeO, WH, WBe, WN …

[HTML][HTML] Performance of DFT functionals for properties of small molecules containing beryllium, tungsten and hydrogen

L Chen, D Süß, I Sukuba, M Schauperl, M Probst… - Nuclear Materials and …, 2020 - Elsevier
A comparative study of bond lengths, atomization energies and vibrational frequencies for a
set of neutral molecules Be n, Be n H m, W n, W n Be m, and W n H m with m+ n≤ 4 in their …

Electron-impact ionization cross section of fusion-relevant diatomic molecules containing B

Y Ma, Y Song, B Li - The European Physical Journal D, 2024 - Springer
Because the dust from beryllium (Be) is toxic to humans, ITER has recently decided to
replace the first wall material of Be with tungsten boron (B). While there has been much …

Electron interactions with beryllium and its hydrides

A Chaudhari, H Bhutadia, S Parikh… - International Journal of …, 2024 - Elsevier
In present study of electron driven inelastic processes, we report calculated probabilities of
inelastic events (including total inelastic and ionizations) occurrence by quantifying the cross …

Electron impact ionisation cross sections of iron oxides

SE Huber, A Mauracher, I Sukuba, J Urban… - The European Physical …, 2017 - Springer
We report electron impact ionisation cross sections (EICSs) of iron oxide molecules, Fe x O x
and Fe x O x+ 1 with x= 1, 2, 3, from the ionisation threshold to 10 keV, obtained with the …

Electron impact ionisation cross sections of iron hydrogen clusters

SE Huber, I Sukuba, J Urban, J Limtrakul… - The European Physical …, 2016 - Springer
We computed electron impact ionisation cross sections (EICSs) of iron hydrogen clusters,
FeH n with n= 1, 2,..., 10, from the ionisation threshold to 10 keV using the Deutsch-Märk …

Electron impact ionisation cross sections of cis- and trans-diamminedichloridoplatinum(II) and its hydrolysis products

SE Huber, D Süß, M Probst, A Mauracher - Molecular Physics, 2019 - Taylor & Francis
We report total electron-impact ionisation cross sections (EICSs) of cisplatin, its hydrolysis
products and transplatin in the energy range from threshold to 10 keV using the binary …

Study of BenW (n= 1–12) clusters: An electron collision perspective

P Modak, J Kaur, B Antony - Physics of Plasmas, 2017 - pubs.aip.org
This article explores electron scattering cross sections by Beryllium-Tungsten clusters (Be n
W). Beryllium and tungsten are important elements for plasma facing wall components …

Electron impact ionisation cross sections of fluoro-substituted nucleosides

SE Huber, A Mauracher - The European Physical Journal D, 2019 - Springer
We report calculated electron-impact ionisation cross sections (EICSs) for 2′-deoxycytidine
(Cyt), 2′-deoxy-5-fluorocytidine (fCyt) and 2′, 2′-difluorocytidine (gemcitabine, Gem) …

[HTML][HTML] Beryllium, tungsten and their alloys Be2W and Be12W: Surface defect energetics from density functional theory calculations

L Chen, I Sukuba, M Probst, A Kaiser - Nuclear Materials and Energy, 2018 - Elsevier
The binding, adsorption and removal energies of atoms on the surfaces of Be with the major
orientations (11 2¯ 0) and (11 2¯ 1), and of W and Be/W alloys with (110) and (111) …