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Simulating of Oxygen Gas Sensor Based on Silicon Carbon Nano-Ribbon

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Abstract (2. Language): 
In this thesis using non-equilibrium Green function with density functional theory, examined of the simulating of oxygen gas sensor based on silicon carbon Nano-ribbon and comparison to the conventional sensors. At first, test an oxygen molecule with several different decorated to find the best position relaxation (in this of gas deposition, sensor will be the least amount of total energy), and then to evaluate the behavior of sensor we re-examined process with two molecules of oxygen. In addition, we have shown that oxygen can alter the current-voltage characteristic of zigzag silicon carbon Nano-ribbon and create new fluctuations resistance. These alternations are made due to discontinuities in the combination of orbitals along the silicon carbon Nano-ribbon. This decoration alters the discontinuities and creates more visible fluctuations. Also, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag silicon carbon Nano-ribbon, the edge states are the main states for transporting electron from one electrode to another.
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