Hydrogen absorption mechanism into iron in aqueous solution including metal cations by laser ablation tests and first-principles calculations

Igarashi, Takahiro; Otani, Kyohei; Kato, Chiaki; Sakairi, Masatoshi*; Togashi, Yusuke*; Baba, Kazuhiko*; Takagi, Shusaku*

ISIJ International, 61(4), p.1085 - 1090, 2021/04

https://doi.org/10.2355/isijinternational.ISIJINT-2020-065

In order to clarify the effect of metal cations (Zn, Mg, Na) in aqueous solution on hydrogen permeation into iron, the amount of hydrogen permeation from iron surface was measured by electrochemical tests with a laser ablation. Moreover, in order to obtain the basic mechanism of hydrogen permeation with metal cation, first-principles calculations were used to acquire the adsorption potential of the metal cation and the electronic state around iron surface. By Zn in solution, anodic reaction on ablated surface by laser irradiation was suppressed. Also, by quantum analysis Zn atoms were chemically bonded stronger than Na and Mg atoms to iron surface. It was suggested that the dissolution reaction of iron was suppressed by the formation of the Zn layer, and that lead suppression of hydrogen permeation into iron.