EPJ Web Conf.
Volume 174, 20184th International Conference on Micro Pattern Gaseous Detectors (MPGD 2015)
|Number of page(s)||2|
|Section||Simulation and Software|
|Published online||21 February 2018|
Noble gas cluster ions
Department of Chemistry, Faculty of Arts and Sciences, Uludağ University, 16059 Bursa, Turkey.
2 Department of Physics, Faculty of Arts and Sciences, Uludağ University, 16059 Bursa, Turkey.
3 RD51, CERN.
a e-mail: firstname.lastname@example.org
Published online: 21 February 2018
In this work, a reaction mechanism of formation of noble gas (Ng) cluster ions has been theoretically investigated in detail. The kinetic studies of formation of Xe+Xe cluster in Xe, Ar+Ar cluster ions in Ar, and Ne+Ne cluster ions in Ne have been made as theoretically. The optimized structures in the ground state were calculated using the density functional theory (DFT) by the B3LYP method combined with the Stuttgart/Dresden effective core potential basis set (SDD). In addition, we calculated the rate constants of all cluster formations. The results are 1.15 × 10−31, 3.58 × 10−31, 0.23 × 10−31cm6/s, respectively for Neon, Argon, Xenon cluster ions.
© The Authors, published by EDP Sciences, 2018
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (http://creativecommons.org/licenses/by/4.0/).
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