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Literature DB >> 12786566

General model for water monomer adsorption on close-packed transition and noble metal surfaces.

A Michaelides¹, V A Ranea, P L de Andres, D A King.

Abstract

Ab initio density functional theory has been used to investigate the adsorption of H2O on several close-packed transition and noble metal surfaces. A remarkably common binding mechanism has been identified. On every surface H2O binds preferentially at an atop adsorption site with the molecular dipole plane nearly parallel to the surface. This binding mode favors interaction of the H2O 1b(1) delocalized molecular orbital with surface wave functions.

Entities: Chemical

Year: 2003 PMID： 12786566 DOI： 10.1103/PhysRevLett.90.216102

Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161

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Cited

14 in total

1. First-principles molecular dynamics simulations of the H2O/Cu(111) interface.

Authors: Roger Nadler; Javier Fernandez Sanz
Journal: J Mol Model Date: 2011-10-18 Impact factor: 1.810

2. Microscopic dynamics of charge separation at the aqueous electrochemical interface.

Authors: John A Kattirtzi; David T Limmer; Adam P Willard
Journal: Proc Natl Acad Sci U S A Date: 2017-07-11 Impact factor: 11.205

3. A molecular perspective of water at metal interfaces.

Authors: Javier Carrasco; Andrew Hodgson; Angelos Michaelides
Journal: Nat Mater Date: 2012-07-24 Impact factor: 43.841

4. Hydrophilic Character of Single-Layer MoS₂ Grown on Ag(111).

Authors: Francesco Tumino; Carlo Grazianetti; Christian Martella; Marina Ruggeri; Valeria Russo; Andrea Li Bassi; Alessandro Molle; Carlo S Casari
Journal: J Phys Chem C Nanomater Interfaces Date: 2021-04-27 Impact factor: 4.126

5. Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction.

Authors: Jan Kučera; Axel Groß
Journal: Beilstein J Nanotechnol Date: 2011-07-12 Impact factor: 3.649

6. Generation of Subsurface Voids, Incubation Effect, and Formation of Nanoparticles in Short Pulse Laser Interactions with Bulk Metal Targets in Liquid: Molecular Dynamics Study.

Authors: Cheng-Yu Shih; Maxim V Shugaev; Chengping Wu; Leonid V Zhigilei
Journal: J Phys Chem C Nanomater Interfaces Date: 2017-06-01 Impact factor: 4.126

General model for water monomer adsorption on close-packed transition and noble metal surfaces.

1. First-principles molecular dynamics simulations of the H2O/Cu(111) interface.

2. Microscopic dynamics of charge separation at the aqueous electrochemical interface.

3. A molecular perspective of water at metal interfaces.

4. Hydrophilic Character of Single-Layer MoS₂ Grown on Ag(111).

5. Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction.

6. Generation of Subsurface Voids, Incubation Effect, and Formation of Nanoparticles in Short Pulse Laser Interactions with Bulk Metal Targets in Liquid: Molecular Dynamics Study.

7. Bias-dependent local structure of water molecules at a metallic interface.

8. Water-Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111).

9. Surface Structure of TiO₂ Rutile (011) Exposed to Liquid Water.

10. Effect of hydrophobic cations on the oxygen reduction reaction on single‒crystal platinum electrodes.