Molecular Dynamic Simulation on Graphitization and Dehydrogenization of Hydrogenated Carbon Films in Vacuum |
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Authors: | QUAN Wei-Long LI Hong-Xuan ZHAO Fei JI Li DU Wen ZHOU Hui-Di CHEN Jian-Min |
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Affiliation: | State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 School of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070 |
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Abstract: | The thermal stability of hydrogenated carbon films with H fraction from zero to 51.5% is studied by carrying out a molecular dynamical simulation on the annealing process in vacuum. Our simulations show that both graphitization temperature and dehydrogenization temperature decrease with H fraction in the films, which is in good agreement with the available experimental data. The dehydrogenization temperature is found to be much higher than the graphitization temperature. It is indicated that graphitization is the dominant process causing the degeneration of hydrogenated carbon films. |
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Keywords: | 81.15.Hi 83.10.Rs 61.43.Bn |
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