Metal/metal‐oxide interfaces: A surface science approach to the study of adhesion

1991 ◽  
Vol 9 (3) ◽  
pp. 1518-1524 ◽  
Author(s):  
C. H. F. Peden ◽  
K. B. Kidd ◽  
N. D. Shinn
Keyword(s):  
Metal Oxide ◽  
Surface Science ◽  
Oxide Interfaces ◽  
Metal Metal ◽  
Science Approach

scholarly journals Strong metal–metal interaction and bonding nature in metal/oxide interfaces with large mismatches

2019 ◽  
Vol 179 ◽  
pp. 237-246 ◽  
Author(s):  
Hongping Li ◽  
Mitsuhiro Saito ◽  
Chunlin Chen ◽  
Kazutoshi Inoue ◽  
Kazuto Akagi ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Oxide Interfaces ◽  
Metal Interaction ◽  
Metal Metal

Metal/Metal-Oxide Interfaces: How Metal Contacts Affect the Work Function and Band Structure of MoO3

2012 ◽  
Vol 23 (2) ◽  
pp. 215-226 ◽  
Author(s):  
Mark T. Greiner ◽  
Lily Chai ◽  
Michael G. Helander ◽  
Wing-Man Tang ◽  
Zheng-Hong Lu
Keyword(s):  
Band Structure ◽  
Metal Oxide ◽  
Work Function ◽  
Metal Contacts ◽  
Oxide Interfaces ◽  
Metal Metal

Metallic back-contact interface design in photoelectrochemical devices

2016 ◽  
Vol 4 (38) ◽  
pp. 8989-8996 ◽  
Author(s):  
Ofer Neufeld ◽  
Almog S. Reshef ◽  
Leora Schein-Lubomirsky ◽  
Maytal Caspary Toroker
Keyword(s):  
Electronic Structure ◽  
Metal Oxide ◽  
Structure Analysis ◽  
Interface Design ◽  
Back Contact ◽  
Contact Interface ◽  
Oxide Interfaces ◽  
Metal Metal

DFT+U electronic structure analysis for a set of metal/metal-oxide interfaces that are important for a variety of electronic applications.

Structural Relaxations At Metal / Metal Oxide Interfaces

1991 ◽  
Vol 238 ◽  
Author(s):  
W. Mader
Keyword(s):  
Metal Oxide ◽  
Relative Strength ◽  
Model Systems ◽  
Misfit Dislocations ◽  
Orientation Relationships ◽  
Oxide Systems ◽  
Oxide Interfaces ◽  
Metal Metal ◽  
High Resolution Tem ◽  
Interacting Systems

ABSTRACTRecent work is reviewed on the structure of metal/metal oxide interfaces in model systems with well defined orientation relationships and boundary inclination. Structural relaxations established upon interface formation may be described as misfit dislocations which can be investigated using conventional and high resolution TEM. The conditions for obtaining informations at an atomistic scale using HRTEM are critically discussed. Specifically, geometrical restrictions are found to be critical in HRTEM study of {111} interfaces in fee metal -fee oxide systems. Different misfit dislocation networks at {100} interfaces in fee metal - fee oxide systems were observed which may be correlated to the relative strength of metal-anion and metal-cation bonds at the interface. In strongly interacting systems misfit dislocations can possess an equilibrium stand-off distance from the interface. In the system Nb-Al2O3 the interface is shown to be coherent by the registry of atomic columns adjacent to the interface. In this configuration energy is minimized by unbroken strong interfacial bonds and misfit localization in the elastically softer metal.

A Rapid Specimen Preparation Technique For Cross-Section Tem Investigation Of Semiconductors and Metals

1987 ◽  
Vol 115 ◽  
Author(s):  
J. Vanhellemont ◽  
H. Bender ◽  
L. Rossou
Keyword(s):  
Metal Oxide ◽  
Cross Section ◽  
Compound Semiconductors ◽  
Layered Structures ◽  
Specimen Preparation ◽  
Silicon Compound ◽  
Preparation Technique ◽  
Oxide Interfaces ◽  
Wide Applicability ◽  
Metal Metal

ABSTRACTA simple and rapid specimen preparation technique for the cross section TEM investigation of layered structures is discussed. Its wide applicability is illustrated for the investigation of processed silicon, compound semiconductors, silicon on quartz and also for metal/metal oxide interfaces.

scholarly journals Machine Learning in Computational Surface Science and Catalysis: Case Studies on Water and Metal–Oxide Interfaces

2020 ◽  
Vol 8 ◽  
Author(s):  
Xiaoke Li ◽  
Wolfgang Paier ◽  
Joachim Paier
Keyword(s):  
Machine Learning ◽  
Metal Oxide ◽  
Surface Science ◽  
Gaussian Approximation ◽  
Force Fields ◽  
Bayesian Regression ◽  
Machine Learning Techniques ◽  
Length Scales ◽  
Oxide Interfaces ◽  
Reducible Oxides

The goal of many computational physicists and chemists is the ability to bridge the gap between atomistic length scales of about a few multiples of an Ångström (Å), i. e., 10−10 m, and meso- or macroscopic length scales by virtue of simulations. The same applies to timescales. Machine learning techniques appear to bring this goal into reach. This work applies the recently published on-the-fly machine-learned force field techniques using a variant of the Gaussian approximation potentials combined with Bayesian regression and molecular dynamics as efficiently implemented in the Vienna ab initio simulation package, VASP. The generation of these force fields follows active-learning schemes. We apply these force fields to simple oxides such as MgO and more complex reducible oxides such as iron oxide, examine their generalizability, and further increase complexity by studying water adsorption on these metal oxide surfaces. We successfully examined surface properties of pristine and reconstructed MgO and Fe3O4 surfaces. However, the accurate description of water–oxide interfaces by machine-learned force fields, especially for iron oxides, remains a field offering plenty of research opportunities.

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