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First-principles study of chlorine adsorption on clean Al(111)
Jun Yamashita
*
,
Norio Nunomura
*
Corresponding author for this work
Materials Design and Engineering
Research output
:
Contribution to journal
›
Article
›
peer-review
7
Scopus citations
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Keyphrases
Chlorine
100%
First-principles Study
100%
Al(111)
100%
Chlorine Adsorption
100%
Adsorption
50%
Charge Transfer
50%
Projected Density of States
25%
Density Functional Theory
25%
Structural Properties
25%
Dipole Structure
25%
Bond Formation
25%
Bond Length
25%
Electronic Properties
25%
Chlorine Atom
25%
Thermodynamic Properties
25%
Thermodynamically Stable
25%
Dipole Moment
25%
Chemical Potential
25%
Surface Bonding
25%
Work Function
25%
Theory Model
25%
Structural Electronics
25%
Low Coverage
25%
Structural Thermodynamics
25%
Supercell Approach
25%
Al(111) Surface
25%
Electrostatic Dipole
25%
Mixed Structure
25%
Adsorption Free Energy
25%
Electronic Charge Density Distribution
25%
Engineering
Energy Engineering
100%
Density Distribution
100%
Chemical Potential
100%
Face-Centered Cubic
100%
Bond Formation
100%
Supercell
100%
Electronic Charge Density
100%
Electrostatic Force
100%
Dipole Moment
100%
Chemistry
First Principle
100%
formation
100%
Density of State
50%
Density Functional Theory
50%
Aluminum
50%
Bond Length
50%
Electronic Property
50%
Dipole Moment
50%
Chlorine Atom
50%
Chemical Potential
50%
Face-Centered Cubic Crystal System
50%
Electrostatic Force
50%
Electronic Charge Density
50%
Free Energy
50%
Work Function
50%
Material Science
Density
100%
Aluminum
50%
Electronic Property
50%
Electronic Charge Density
50%
Surface (Surface Science)
50%