Hydrogen atom quantum migration on platinum

Tanglaw Roman; Hiroshi Nakanishi; Wilson Agerico Diño; Hideaki Kasai

doi:10.1380/ejssnt.2006.619

Hydrogen atom quantum migration on platinum

Tanglaw Roman, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai

Research output: Contribution to journal › Review article › peer-review

15 Citations (Scopus)

Abstract

We have reexamined hydrogen-platinum systems, giving emphasis on the atomic migration on the metal surface. The ideal (111) surface was firstly revisited, with the model potential energy surface for the motion of hydrogen created from calculations using a slab of platinum atoms fixed at the bulk separation obtained from experimental measurements. Calculated hydrogen hopping states in an adiabatic approximation are presented, with the lowest of these found at only 30 meV above the ground state. Effects of the presence of vacancies on the atomic migration are discussed from a potential energy surface constructed using a similar model.

Original language	English
Pages (from-to)	619-623
Number of pages	5
Journal	e-Journal of Surface Science and Nanotechnology
Volume	4
DOIs	https://doi.org/10.1380/ejssnt.2006.619
Publication status	Published - 3 Oct 2006
Externally published	Yes

Keywords

Ab initio quantum chemical methods and calculations
Adsorption kinetics
Diffusion and migration
Platinum

Access to Document

10.1380/ejssnt.2006.619Licence: In Copyright

Cite this

@article{9b7559037ef04fb3b4f5d7501cd5ff9b,

title = "Hydrogen atom quantum migration on platinum",

abstract = "We have reexamined hydrogen-platinum systems, giving emphasis on the atomic migration on the metal surface. The ideal (111) surface was firstly revisited, with the model potential energy surface for the motion of hydrogen created from calculations using a slab of platinum atoms fixed at the bulk separation obtained from experimental measurements. Calculated hydrogen hopping states in an adiabatic approximation are presented, with the lowest of these found at only 30 meV above the ground state. Effects of the presence of vacancies on the atomic migration are discussed from a potential energy surface constructed using a similar model.",

keywords = "Ab initio quantum chemical methods and calculations, Adsorption kinetics, Diffusion and migration, Platinum",

author = "Tanglaw Roman and Hiroshi Nakanishi and Di{\~n}o, {Wilson Agerico} and Hideaki Kasai",

year = "2006",

month = oct,

day = "3",

doi = "10.1380/ejssnt.2006.619",

language = "English",

volume = "4",

pages = "619--623",

journal = "e-Journal of Surface Science and Nanotechnology",

issn = "1348-0391",

publisher = "The Japan Society of Vacuum and Surface Science",

}

TY - JOUR

T1 - Hydrogen atom quantum migration on platinum

AU - Roman, Tanglaw

AU - Nakanishi, Hiroshi

AU - Diño, Wilson Agerico

AU - Kasai, Hideaki

PY - 2006/10/3

Y1 - 2006/10/3

N2 - We have reexamined hydrogen-platinum systems, giving emphasis on the atomic migration on the metal surface. The ideal (111) surface was firstly revisited, with the model potential energy surface for the motion of hydrogen created from calculations using a slab of platinum atoms fixed at the bulk separation obtained from experimental measurements. Calculated hydrogen hopping states in an adiabatic approximation are presented, with the lowest of these found at only 30 meV above the ground state. Effects of the presence of vacancies on the atomic migration are discussed from a potential energy surface constructed using a similar model.

AB - We have reexamined hydrogen-platinum systems, giving emphasis on the atomic migration on the metal surface. The ideal (111) surface was firstly revisited, with the model potential energy surface for the motion of hydrogen created from calculations using a slab of platinum atoms fixed at the bulk separation obtained from experimental measurements. Calculated hydrogen hopping states in an adiabatic approximation are presented, with the lowest of these found at only 30 meV above the ground state. Effects of the presence of vacancies on the atomic migration are discussed from a potential energy surface constructed using a similar model.

KW - Ab initio quantum chemical methods and calculations

KW - Adsorption kinetics

KW - Diffusion and migration

KW - Platinum

UR - http://www.scopus.com/inward/record.url?scp=33749616402&partnerID=8YFLogxK

U2 - 10.1380/ejssnt.2006.619

DO - 10.1380/ejssnt.2006.619

M3 - Review article

AN - SCOPUS:33749616402

SN - 1348-0391

VL - 4

SP - 619

EP - 623

JO - e-Journal of Surface Science and Nanotechnology

JF - e-Journal of Surface Science and Nanotechnology

ER -

Hydrogen atom quantum migration on platinum

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this