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Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study
Saeedeh S. Tafreshi
, Alberto Roldan
,
Nelson Y. Dzade
, Nora H. De Leeuw
John and Willie Leone Department of Energy & Mineral Engineering (EME)
Research output
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Contribution to journal
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Article
›
peer-review
74
Scopus citations
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Dive into the research topics of 'Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study'. Together they form a unique fingerprint.
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Keyphrases
Adsorption
100%
(111) Surface
100%
Hydrazine
100%
DFT Study
100%
Dispersion-corrected DFT
100%
Adsorption Energy
50%
Dispersion Correction
33%
Energy Increase
16%
First-principles Calculations
16%
Substrate Binding
16%
Step Edge
16%
Adsorption Sites
16%
Long-range Interactions
16%
Nitrogen Atom
16%
Adatoms
16%
Defect Type
16%
Reactive Surface
16%
Generalized Gradient Approximation
16%
Geometry Optimization
16%
Adsorption Geometry
16%
Stable Surface
16%
Adsorption Process
16%
DFT-D2
16%
Weak Adsorption
16%
Torsional Angle
16%
Copper Surface
16%
Strong Adsorption
16%
Angle Change
16%
Core Level
16%
High Adsorption
16%
DFT Level
16%
Material Science
Surface (Surface Science)
100%
Adsorption
20%