Isotope effects in Eley-Rideal abstraction of hydrogen from tungsten surfaces: the role of dissipation

被引：0

作者：

Galparsoro, Oihana ^{[1
]}

Martin-Barrios, Raidel ^{[2
]}

Enrique Ibanez-Almaguer, Paulo ^{[3
]}

Marquez-Mijares, Maykel ^{[3
]}

David Creme, Jose ^{[4
]}

Silva-Solis, Yosvany ^{[4
]}

Rubayo-Soneira, Jesus ^{[3
]}

Crespos, Cedric ^{[2
]}

Larregaray, Pascal ^{[2
]}

机构：

[1] Euskal Herriko Unibertsitatea, UPV EHU, Kimika Fak, Donostia San Sebastian 20018, Spain

[2] Univ Bordeaux, CNRS, ISM, Bordeaux INP,UMR5255, F-33400 Talence, France

[3] Univ Habana, Inst Super Tecnol & Ciencias Aplicadas InSTEC, Ave Salvador Allende 1110,Plaza Revoluc, Havana 10400, Cuba

[4] Aix Marseille Univ, CNRS, PIIM, F-13013 Marseille, France

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2025年 / 27卷 / 06期

关键词：

H-ATOMS; DIATOMIC MOLECULE; EXCITED MOLECULES; SOLID-SURFACE; HOT-ATOM; DYNAMICS; RECOMBINATION; SCATTERING; CHEMISTRY; GAS;

D O I：

10.1039/d4cp04063e

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular dynamics simulations are performed to investigate the influence of isotope substitutions on the Eley-Rideal recombination dynamics of hydrogen isotopes from the (100) and (110) surfaces of tungsten. Dissipation of electrons and phonons is taken into account by, respectively, the local density friction approximation and the general Langevin oscillator, effective models which have been intensively used in recent years. As the coupling to surface phonons and electrons might be altered by the mass combination, the main objective of the paper is to assess the role of dissipation to the surface in the course of abstraction.

引用

页码：3052 / 3060

页数：9

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