Metals (B, Ni) encapsulation of graphene/PEDOT hybrid materials for gas sensing applications: A computational study

Keyphrases

• Computational Study 100%
• Graphene 100%
• Hybrid Materials 100%
• PEDOT 100%
• Gas Sensing Applications 100%
• Gasses 41%
• Climate Change 8%
• Ammonia 8%
• Molecular Dynamics Simulation 8%
• Enhanced Stability 8%
• Density Functional Theory 8%
• Global Warming 8%
• Adsorption 8%
• Energy Transfer 8%
• B3LYP 8%
• Boron 8%
• Methane 8%
• Earth's Atmosphere 8%
• Ruminants 8%
• Attractive Interaction 8%
• Adsorbate 8%
• Adsorption Behavior 8%
• Adsorbent 8%
• Carbon Dioxide CO2 8%
• Significant Energy 8%
• Band Gap 8%
• Comprehensive Simulation 8%
• Noncovalent Interactions 8%
• Interface Material 8%
• Quantum Theory of Atoms in Molecules (QTAIM) 8%
• Sensor Materials 8%
• System Temperature 8%
• Solid Structure 8%
• Novel Interfaces 8%
• Greenhouse Gases 8%

Chemistry

• Graphene 100%
• Carbon Dioxide 100%
• Methane 80%
• Ammonia 80%
• Energy Transfer 20%
• DFT-B3LYP Calculation 20%
• Greenhouse Gas 20%
• Adsorption Behavior 20%
• Band Gap 20%
• Non-Covalent Interactions 20%
• Atmosphere (Earth) 20%
• Quantum Theory 20%
• Density Functional Theory 20%
• Molecular Dynamics Simulation 20%
• Boron 20%
• Interface (Material) 20%

Material Science

• Graphene 100%
• Hybrid Material 100%
• Carbon Dioxide 100%
• Density 20%
• Protective Atmosphere 20%
• Boron 20%
• Greenhouse Gas 20%
• Interface (Material) 20%