1. 毕业设计（论文）主要目标：
1. 熟练运用MaterialStudio计算软件;2. 理解第一性原理并应用该原理对掺杂、缺陷石墨烯进行计算模拟;3. 合理运用演示软件对模拟结果进行仿真;4. 学会对模拟结果进行初步探讨,研究掺杂、缺陷石墨烯的电子结构及吸附原子后的结构能量变化.
2. 毕业设计（论文）主要内容：
基于密度泛函理论的第一原理方法(First-principles method)计算研究掺杂、缺陷石墨烯的电子结构及其相关性质，并使用Material studio软件模拟研究计算出掺杂、缺陷石墨烯的吸附结构、能量、态密度以及能带等相关内容，并与本征石墨烯进行对比。
3. 主要参考文献
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