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Computational Studies of Pd-based Hydride Catalysts for CO
2
Reduction
Changzhi Ai
Atomic Scale Materials Modelling
Department of Energy Conversion and Storage
Research output
:
Book/Report
›
Ph.D. thesis
108
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Dive into the research topics of 'Computational Studies of Pd-based Hydride Catalysts for CO
2
Reduction'. Together they form a unique fingerprint.
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Chemistry
Palladium
100%
CO2 Reduction Reaction
100%
Carbon Dioxide Reduction
100%
Density Functional Theory
71%
Syngas
42%
Binding Energy
42%
Doping Material
28%
Carbon Dioxide
28%
Purity
28%
Hydrogen
28%
Transition Element
14%
Carbon Dioxide
14%
Statistical Ensemble
14%
Chemical Kinetics Characteristics
14%
Relaxation
14%
Surface Structure
14%
Alloying
14%
Greenhouse Gas
14%
Material Science
Hydride
100%
Palladium
100%
Carbon Dioxide
100%
Density
45%
Doping (Additives)
18%
Adsorbate
18%
Hydrogen Evolution
18%
Simulated Annealing
18%
Alloying
9%
Atomic Structure
9%
Catalyst Activity
9%
Surface Structure
9%
Transition Metal
9%
Greenhouse Gas
9%
Engineering
Carbon Dioxide Reduction
100%
Syngas
37%
Binding Energy
37%
Hydrogen Evolution Reaction
25%
Dopants
25%
Surrogate Model
25%
Genetic Algorithm
25%
Adsorbate
25%
Deep Learning
25%
Greenhouse Gas
12%
Enzymatic Activity
12%
Kinetic Model
12%
Past Decade
12%
Structure Surface
12%
Energy Engineering
12%
Alloying
12%
Chemical Engineering
Carbon Dioxide Reduction
100%
Deep Learning
28%
Transition Metal
14%
Carbon Dioxide
14%
Electrochemical CO2 reduction
14%
Dimer
14%
Keyphrases
Stablity
14%
Pure Palladium
14%
Binding Energy Calculations
14%