缺陷对BCN二维材料电子结构调控的理论研究任务书
2020-04-30 16:11:25
1. 毕业设计(论文)的内容和要求
石墨烯具有丰富而奇特的物理性质,在电学性质方面,石墨烯是零带隙的半导体,具有超高的载流子迁移率。
但是由于石墨烯固有的零带隙,阻碍了其在半导体器件方面的应用。
作为可以替代石墨烯的新型二维材料,bcn二维材料具有高的载流子迁移率、优异的光电特性,在光电子器件方面具有很好的应用前景。
2. 参考文献
[1]Ci Lijie, Song Li, Jin Chuanhong, Deep Jariwala, Wu Dangxin, Li Yongjie, Anchal Srivastava, Wang Yufei, Kevin Storr, Luis Balicas, Liu Feng and Pulickel M. Ajayan. Atomic layers of hybridized boron nitride and graphene domains. Nature Materials. 2010, 9, 430-435. [2]Marco Bernardi, Maurizia Palummo, Jeffrey C.Grossman. Optoelectronic properties in monolay-ers of hybridized graphene and hexagonal boron nitride. American Physical Society. 2012, 12, 226805(1-5). [3]Hu Xiaohui, Torbjo#776;rn Bjo#776;rkman, Harri Lipsanen, Sun Litao, ArkadyV.Krasheninnikov. Solubility of Boron, Carbon, and Nitrogen in Transition Metals:Getting Insight into Trends from First-Principles Calculations. The Journal of Physical Chemistry Letters. 2015, 6, 3263-3268. [4]Zhan Xuejun, Chen Zhong, Zhang Qichun. Recent progress in two-dimensional COFs for energy-related applications. Journal of Materials Chemistry A. 2017, 5, 14463-14479. [5]Chia Xinyi, Pumera Martin. Characteristics and performance of two-dimensional materials for electrocatalysis. Nature Catalysis. 2018, 1, 909-921. [6]Inagaki Michio, Tsumura Tomoki, Kinumoto Tarou, Toyoda Masahiro. Graphitic carbon nitrides (g-C3N4) with comparative discussion to carbon materials. Carbon. 2019, 141, 580-607. [7]Zhen Chao, Liu Gang, Kang Yuyang, Cheng Hui-Ming, Wang Lianzhou. Unique physicochemical properties of two-dimensional light absorbers facilitating photocatalysis. Chemical Society Reviews. 2018, 47, 6410-6444. [8]Yan Xuecheng, Jia Yi, Yao Xiangdong. Defects on carbons for electrocatalytic oxygen reduction. Chemical Society Reviews. 2018, 47, 7628-7658. [9]Wang Dandan, Bao Yu, Wu Tongshun, Gan Shiyu, Han Dongxue, Niu Li. First-principles study of the role of strain and hydrogenation on C3N. Carbon. 2018, 134, 22-28. [10]Jana Debnarayan, Sun Chia-Liang, Chen Li-Chyong, Chen Kuei-Hsien. Effect of chemical dop-ing of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nano-tubes. Progress in Materials Science. 2013, 58, 565-635.
3. 毕业设计(论文)进程安排
2018.12.11-2018.12.22:确定毕业论文题目,学生选题,指导学生查阅文献; 2018.12.23-2019.1.18:完成文献综述、外文翻译和开题报告等工作;完成本征BCN二维材料的能带结构和态密度的计算; 2019.2.26-2019.4.30:对BCN二维材料的缺陷模型结构进行几何优化、能带结构和态密度的计算,完成计算数据的分析及整理工作; 2019.5.1-2019.5.31:完成毕业论文的撰写及修改。
2019.6.1-2019.6.15:进一步修改毕业论文并完成毕业论文的答辩。