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毕业论文网 > 任务书 > 材料类 > 材料科学与工程 > 正文

吸附对BCN二维材料结构和性质的影响任务书

 2020-04-30 04:04  

1. 毕业设计(论文)的内容和要求

石墨烯具有超高的载流子迁移率和优异的电学性能,但固有的零带隙阻碍了石墨烯在半导体器件方面的应用。

六方氮化硼(h-bn)与石墨烯具有相似的原子结构,但其表现为宽带隙的半导体。

由石墨烯和六方氮化硼组成的bcn二维材料,具有结合两种不同属性材料的新性质,在电子、储能、传感和催化等领域具有广阔的应用前景。

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2. 参考文献

[1] Wang, S. Y.; Wang, G.; Wu, T. T.; Zhang, Y. Q.; Zhan, F.; Wang, Y. W.; Wang, J. G.; Fu, Y.; Qiu, J. S. BCN nanosheets templated by g-C3N4 for high performance capacitive deionization. J. Mater. Chem. A. 2018, 6, 14644-14650. [2] Wang, B.; Masakazu, A.; Lin, J.; Yang, C.; Zhang, Y. F.; Wang, X. C. Direct hydroxylation of benzene to phenol on h-BCN nanosheets in the presence of FeCl3 and H2O2 under visible light. Catal. Today. 2018, 7, 10. [3]Li, H. P.; Zhu, S. W.; Zhang,M. Tuning the chemical hardness of boron nitride nanosheets by doping carbon for enhanced adsorption capacity. ACS Omega. 2017, 2, 5385-5394. [4] Fiori, G.; Bruzzone, S.; Iannaccone, G. Two dimensional graphene/h-BCN based devices with large ion/ioff ratio for digital applications. Adv. Sci. Technol. 2012, 77, 266-269. [5] Tay, R. Y.; Li, H.; Tsang, S. H.; Zhu, M.; Loeblein, M.; Jing, L. Trimethylamine borane: a new single-source precursor for monolayer h-BN single crystals and h-BCN thin films. Chem. Mater. 2016, 28, 2180-2190. [6] Karbhal, I.; Devarapalli, R. R.; Debgupta, J.; Pillai, V. K.; Ajayan, P. M.; Shelke, M. V. Facile green synthesis of BCN nanosheets as high-performance electrode material for electrochemical energy storage. Chem.Eur. J. 2016, 22, 7134-7140. [7] Wang, L. N.; Hu, P.; Long, Y.; Liu, Z.; He, X. X. Recent advances in ternary two-dimensional materials: synthesis, properties and applications. J. Mater. Chem. A. 2017, 5, 22855-22876. [8] Jamr#243;z, A.; Majewski, A. J. Ordering effects in 2D hexagonal systems of binary and ternary BCN alloys. Comput. Mater. Sci. 2018, 147,115-123. [9] Tay, R. Y.; Li, H.; Tsang, S. H.; Zhu, M.; Loeblein, M.; Jing, L. Trimethylamine borane: a new single-source precursor for monolayer h-BN single crystals and h-BCN thin films. Chem. Mater. 2016, 28, 2080-2190. [10] Tang, S.; Wu, W.; Liu, L.; Gu, J. Oxygen molecule adsorption and dissociation on BCN graphene: a first-principles study. ChemPhysChem. 2017, 18, 101-110. [11] Dan, T.; Hui, L.; Qiu, D.; Xiang, L.; Rong, S.; Xiao, Z. Renewable biomass derived porous BCN nanosheets and their adsorption and photocatalytic activities for the decontamination of organic pollutants. RSC. Adv. 2018, 8, 21905-21914. [12] Ci, L. J.; Song, L.; Jin, C. H.; Jariwala, D.; Wu, D. X.; Li, Y. J,.; Srivastava, A.; Wang, Z. F.; Storr, K.; Balicas, L.; Liu, F.; Ajayan, P. M. Atomic layers of hybridized boron nitride and graphene domains. Nat. Mater. 2010, 9, 430-435. [13] Bernardi, M.; Palummo, M.; Grossman, J. C. Optoelectronic properties in monolayers of hybridized graphene and hexagonal boron nitride. Phys. Rev. Lett. 2012, 108, 226805. [14] Kaloni, T. P.; Joshi, R. P.; Adhikari, N. P.; U. Schwingenschlouml;gl. Band gap tunning in BN-doped graphene systems with high carrier mobility. Appl. Phys. Lett. 2014, 104, 073116. [15] Hu, X. H.; Bjouml;rkman, T.; Lipsanen, H.; Sun, L. T.; Krasheninnikov, A. V. Solubility of boron, carbon, and nitrogen in transition metals: getting insight into trends from first-principles calculations. J. Phys. Chem. Lett. 2015, 6, 3263 #8722;3268.

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:对原子吸附的BCN二维材料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。

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