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Density functional calculations on the hydrogenation of carbon dioxide on Fe(111) and W(111) surfaces
Han Jung Li,
Jia Jen Ho
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Corresponding author for this work
Department of Chemistry
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peer-review
32
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Dive into the research topics of 'Density functional calculations on the hydrogenation of carbon dioxide on Fe(111) and W(111) surfaces'. Together they form a unique fingerprint.
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Chemistry
Surface
100%
Density
100%
Hydrogenation
100%
Carbon Dioxide
100%
Carbon Dioxide
57%
Structure
28%
Molecule
28%
Formate
28%
Chemical Reaction Product
14%
Wave
14%
Rate
14%
Density Functional Theory
14%
Reaction Path
14%
Density of State
14%
Energy
14%
Potential Energy Surface
14%
Energy Barrier
14%
Quantum Chemical Calculations
14%
Periodic Boundary Condition
14%
INIS
surfaces
100%
hydrogenation
100%
carbon dioxide
100%
density functional method
100%
energy
25%
molecules
25%
formates
25%
interactions
12%
boundary conditions
12%
geometry
12%
barriers
12%
atoms
12%
charges
12%
density of states
12%
periodicity
12%
potential energy
12%