Binding Site Transitions Across Strained Oxygenated and Hydroxylated Pt (111)
Abstract: The effects of strain σ on the binding position preference of oxygen atoms and hydroxyl groups adsorbed on Pt (111) have been investigated using density functional theory. A transition between the bridge and FCC binding occurs under compressive strain of the O/Pt (111) surface. A significant reconstruction occurs under compressive strain of the OH/Pt (111) surface, and the surface OH groups preferentially occupy on‐top (bridge) positions at highly compressive (less compressive/tensile) strains. Changes to magnetisation of the O‐ and OH‐populated surfaces are discussed and for O/Pt (111) oxygenation reduces the surface magnetism via a delocalised mechanism. The origins of the surface magnetisation for both O‐ and OH‐bearing systems are discussed in terms of the state‐resolved electronic populations and of the surface charge density.
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
Binding Site Transitions Across Strained Oxygenated and Hydroxylated Pt (111) ; volume:7 ; number:5 ; year:2018 ; pages:356-369 ; extent:14
ChemistryOpen ; 7, Heft 5 (2018), 356-369 (gesamt 14)
- Creator
-
Shuttleworth, Ian G.
- DOI
-
10.1002/open.201800039
- URN
-
urn:nbn:de:101:1-2022082006394862280563
- Rights
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
15.08.2025, 7:21 AM CEST
Data provider
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Shuttleworth, Ian G.
Other Objects (12)
Induced high-temperature ferromagnetism by structural phase transitions in strained antiferromagnetic γ-Fe50Mn50 epitaxial films
Synthesizing Strained Azatriseptane Frameworks
On highly strained alkylgold complexes
Strained Ammonium Precursors for Radiofluorinations
Direct Integration of Strained‐Pt Catalysts into Proton‐Exchange‐Membrane Fuel Cells with Atomic Layer Deposition
Band gap of strained graphene nanoribbons
Surface energy of strained amorphous solids
In vitro selection torsionally strained DNA
Phase transitions and thermodynamic cycles in the broken PT-regime
Oligomer and highly oxygenated organic molecule formation from oxidation of oxygenated monoterpenes emitted by California sage plants
Oxygenated bisabolane fucosides from Carthamus lanatus L.
Ferroelectric Phase Transitions in Strained (K,Na)NbO3 Thin Films Investigated by Three-Dimensional in Situ X-Ray Diffraction
Induced high-temperature ferromagnetism by structural phase transitions in strained antiferromagnetic γ-Fe50Mn50 epitaxial films
Synthesizing Strained Azatriseptane Frameworks
On highly strained alkylgold complexes
Strained Ammonium Precursors for Radiofluorinations
Direct Integration of Strained‐Pt Catalysts into Proton‐Exchange‐Membrane Fuel Cells with Atomic Layer Deposition
Band gap of strained graphene nanoribbons
Surface energy of strained amorphous solids
In vitro selection torsionally strained DNA
Phase transitions and thermodynamic cycles in the broken PT-regime
Oligomer and highly oxygenated organic molecule formation from oxidation of oxygenated monoterpenes emitted by California sage plants
Oxygenated bisabolane fucosides from Carthamus lanatus L.
Ferroelectric Phase Transitions in Strained (K,Na)NbO3 Thin Films Investigated by Three-Dimensional in Situ X-Ray Diffraction
Induced high-temperature ferromagnetism by structural phase transitions in strained antiferromagnetic γ-Fe50Mn50 epitaxial films
Synthesizing Strained Azatriseptane Frameworks
On highly strained alkylgold complexes
Strained Ammonium Precursors for Radiofluorinations
Direct Integration of Strained‐Pt Catalysts into Proton‐Exchange‐Membrane Fuel Cells with Atomic Layer Deposition
Band gap of strained graphene nanoribbons
Surface energy of strained amorphous solids
In vitro selection torsionally strained DNA
Phase transitions and thermodynamic cycles in the broken PT-regime
Oligomer and highly oxygenated organic molecule formation from oxidation of oxygenated monoterpenes emitted by California sage plants
Oxygenated bisabolane fucosides from Carthamus lanatus L.