Ab initio modelling of metal adhesion to ceramics with surface defects

E. A. Kotomin; Y. F. Zhukovskii

Ab initio modelling of metal adhesion to ceramics with surface defects

E. A. Kotomin^*
, Y. F. Zhukovskii

^*Corresponding author for this work

Laboratory of Kinetics in Self-Organizing Systems, Institute of Solid State Physics

Max Planck Institute for Solid State Research
University of Latvia

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

Abstract

A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.

Original language	English
Pages (from-to)	67-78
Number of pages	12
Journal	Defect and Diffusion Forum
Volume	218-220
Publication status	Published - 2003

Keywords

Ab initio Calculations
Metal Adhesion
MgO and Corundum Surfaces
Point Defects

Cite this

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title = "Ab initio modelling of metal adhesion to ceramics with surface defects",

abstract = "A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.",

keywords = "Ab initio Calculations, Metal Adhesion, MgO and Corundum Surfaces, Point Defects",

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year = "2003",

language = "English",

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journal = "Defect and Diffusion Forum",

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T1 - Ab initio modelling of metal adhesion to ceramics with surface defects

AU - Kotomin, E. A.

AU - Zhukovskii, Y. F.

PY - 2003

Y1 - 2003

N2 - A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.

AB - A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.

KW - Ab initio Calculations

KW - Metal Adhesion

KW - MgO and Corundum Surfaces

KW - Point Defects

UR - https://www.scopus.com/pages/publications/0043208029

M3 - Article

AN - SCOPUS:0043208029

SN - 1012-0386

VL - 218-220

SP - 67

EP - 78

JO - Defect and Diffusion Forum

JF - Defect and Diffusion Forum

ER -

Ab initio modelling of metal adhesion to ceramics with surface defects

Abstract

Keywords

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