Molecular Dynamics Simulation of Melting Point of Molybdenum Dioxide
Publish Year: 1397
Type: Conference paper
Language: English
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Document National Code:
IMES12_272
Index date: 1 May 2019
Molecular Dynamics Simulation of Melting Point of Molybdenum Dioxide abstract
Highly ordered mesoporous crystalline MoO2 materials with bicontinuous Ia3d mesostructurewere synthesized by using phosphomolybdic acid as precursor and mesoporous silica KIT-6as hard template in 10% H2 atmosphere via nano casting strategy. The prepared mesoporousMoO2 material shows typical metallic conductivity with low resistivity (∼0.01Ω cm at 300K), which makes it different from all previously reported mesoporous metal oxides materials.We have calculated here the melting point of molybdenum dioxide by simulating moleculardynamics and its ReaxFF potential.
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Molecular Dynamics Simulation of Melting Point of Molybdenum Dioxide authors
Soghra Mohammadzadeh
MSc of physics- University of Zanjan, University Blvd., Zanjan, I. R. Iran
Nader Malih
University of Zanjan, University Blvd., Zanjan, I. R. Iran- University of Zanjan, University Blvd., Zanjan, I. R. Iran
Jamal Davoodi
MSc of physics, Department of physics, University of Zanjan, Zanjan, Iran- Ph.D of physics, Faculty member, Department of physics, University of Zanjan, Zanjan, Iran and Technical andVocational University