First-Principles Study on the Three-Dimensional Structure of Graphane

Wei Wei Ju; Hui Wang; Tong Wei Li; Zhen Ya Fu; Qing Guo Zhang

doi:10.4028/www.scientific.net/KEM.434-435.803

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Preparation of Zinc Oxide Whisker on Carbon Fibers
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Comparative Analysis of Adding Hydrogen Peroxide or Ethanol in Preparation of Zirconia Nano-Powder by Coprecipitation Methods
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Microwave Absorption Properties of Nano-Iron Epoxy Resin-Based Composite Material
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Synthesis of Fe-Core/Au-Shell Nanoparticles under Ambient Pressure
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First-Principles Study on the Three-Dimensional Structure of Graphane
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Luminescent Properties of Eu³⁺-Doped HfO₂ Powders Prepared by Combustion
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Finite Element Modeling of Temperature Distribution in Spark Plasma Sintering
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A Novel Technique of Flyash Utilization: Preparation of Silica from Flyash by Alkali Leaching
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Morphology Control of Si-Based Nanostructures by Catalyst-Assisted Pyrolysis of Preceramic Precursors
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First-Principles Study on the Three-Dimensional Structure of Graphane

Abstract:

Four kinds of three-dimensional structure of graphane are investigated using first-principles method. It is found that the energy of four different structures has little difference, so the conclusion can be drawn that the four structures are likely to exist synchronously in experiments.