Migration of carbon into subsurface layers of Rh(100) : a DFT study

D.L.S. Nieskens; D. Curulla Ferre; J.W. Niemantsverdriet

doi:10.1002/cphc.200500553

Migration of carbon into subsurface layers of Rh(100) : a DFT study

D.L.S. Nieskens, D. Curulla Ferre, J.W. Niemantsverdriet

Research output: Contribution to journal › Article › Academic › peer-review

10 Citations (Scopus)

Abstract

The driving force for migration of carbon into positions immediately below the Rh(100) surface was explored by DFT calcns. Carbon atoms adsorb on the Rh surface at low concns., whereas at coverages exceeding one C per two Rh atoms, strong repulsive interactions energetically favor C atom configurations in subsurface positions. [on SciFinder (R)]

Original language	English
Pages (from-to)	1022-1025
Number of pages	4
Journal	ChemPhysChem
Volume	7
Issue number	5
DOIs	https://doi.org/10.1002/cphc.200500553
Publication status	Published - 2006

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title = "Migration of carbon into subsurface layers of Rh(100) : a DFT study",

abstract = "The driving force for migration of carbon into positions immediately below the Rh(100) surface was explored by DFT calcns. Carbon atoms adsorb on the Rh surface at low concns., whereas at coverages exceeding one C per two Rh atoms, strong repulsive interactions energetically favor C atom configurations in subsurface positions. [on SciFinder (R)]",

author = "D.L.S. Nieskens and {Curulla Ferre}, D. and J.W. Niemantsverdriet",

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AU - Nieskens, D.L.S.

AU - Curulla Ferre, D.

AU - Niemantsverdriet, J.W.

PY - 2006

Y1 - 2006

N2 - The driving force for migration of carbon into positions immediately below the Rh(100) surface was explored by DFT calcns. Carbon atoms adsorb on the Rh surface at low concns., whereas at coverages exceeding one C per two Rh atoms, strong repulsive interactions energetically favor C atom configurations in subsurface positions. [on SciFinder (R)]

AB - The driving force for migration of carbon into positions immediately below the Rh(100) surface was explored by DFT calcns. Carbon atoms adsorb on the Rh surface at low concns., whereas at coverages exceeding one C per two Rh atoms, strong repulsive interactions energetically favor C atom configurations in subsurface positions. [on SciFinder (R)]

U2 - 10.1002/cphc.200500553

DO - 10.1002/cphc.200500553

M3 - Article

C2 - 16596694

SN - 1439-4235

VL - 7

SP - 1022

EP - 1025

JO - ChemPhysChem

JF - ChemPhysChem

IS - 5

ER -

Migration of carbon into subsurface layers of Rh(100) : a DFT study

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