Initial yield of hydrated electron production from water radiolysis based on first-principles calculation-Reference-Cited by-同舟云学术

Initial yield of hydrated electron production from water radiolysis based on first-principles calculation

Published:2023 Issue:11 Volume:13 Page:7076-7086
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kai Takeshi¹^ORCID,Toigawa Tomohiro¹^ORCID,Matsuya Yusuke¹²^ORCID,Hirata Yuho¹^ORCID,Tezuka Tomoya³,Tsuchida Hidetsugu³⁴^ORCID,Yokoya Akinari⁵^ORCID

Affiliation:

1. Nuclear Science and Engineering Center, Japan Atomic Energy Agency, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki, 319-1195, Japan

2. Faculty of Health Sciences, Hokkaido University, Kita-12 Nishi-5, Kita-ku, Sapporo, Hokkaido 060-0812, Japan

3. Department of Nuclear Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8530, Japan

4. Quantum Science and Engineering Center, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan

5. Institute for Quantum Life Science, National Institutes for Quantum Science and Technology, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki, 319-1195, Japan

Abstract

For water radiolysis, conventional simulation methods estimate free radical yields based on the cross-sections. Our results indicated that electron dynamic motion must be further solved to predict the initial yields of hydrated electrons.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D2RA07274B

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