Hydrogen and oxygen on tungsten (110) surface: adsorption, absorption and desorption investigated by density functional theory

• Published in: Nuclear fusion Vol. 63; no. 3; pp. 36017 - 36030
• Main Authors: Ferro, Y., Hodille, E.A., Denis, J., Piazza, Z.A., Ajmalghan, M.
• Format: Journal Article
• Language: English
• Published: IOP Publishing 01.03.2023
• Subjects: Chemical Sciences; density functional theory; oxygen; Physics; surface; tungsten

In this work we investigated the adsorption of oxygen and the co-adsorption of oxygen and hydrogen on the (110) surface of tungsten by means of Density Functional calculations. The absorption, recombination and release mechanisms of hydrogen across the (110) surface with oxygen are further establish...