Citation: CUI Jian- ng, ZHANG Xia, YAN Xin, LI Jun-Shuai, HUANG Yong-Qing, REN Xiao-Min. Electronic Structure Modulation of GaAs Nanowires by Surface Modification[J]. Acta Physico-Chimica Sinica, ;2014, 30(10): 1841-1846. doi: 10.3866/PKU.WHXB201408042 shu

Electronic Structure Modulation of GaAs Nanowires by Surface Modification

1.
State Key Laboratory of Information Photonics & Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, P. R. China

Received Date: 26 May 2014
Available Online: 4 August 2014
Fund Project:

The electronic structure tailoring of GaAs nanowires through surface modification was investigated by first-principles calculations. The effect of different surface-passivation materials (H, F, Cl, Br, and I) on the electronic structure of the GaAs nanowires was studied. The results show that for different atoms, the tailoring of the electronic structure is mainly determined by their passivation ability. The surface modification tunes the bandgap and also the bandgap types. The electronic structure of the GaAs nanowires was determined by the surface states and the quantum-confinement effect jointly. The amplitude of the bandgap variation on the diameter is different for the GaAs nanowires modified with different materials. Surface modification offers a new way to tailor the bandgap of GaAs nanowires without changing their diameter or crystal structure.
- GaAs nanowire,
- First-principles calculation,
- Surface dangling bond,
- Surface modification,
- Electronic structure
1. [1]
  
  (1) Yang, P.; Yan, R.; Fardy, M. Nano Lett. 2010, 10, 1529. doi: 10.1021/nl100665r
2. [2]
  (2) Huang, H.; Ren, X.; Ye, X.; Guo, J.;Wang, Q.; Yang, Y.; Cai, S.; Huang, Y. Nano Lett. 2010, 10, 64. doi: 10.1021/nl902842g
3. [3]
  (3) Tsakalakos, L.; Balch, J.; Fronheiser, J.; Korevaar, B. A.; Sulima, O.; Rand, J. Appl. Phys. Lett. 2007, 91, 233117. doi: 10.1063/1.2821113
4. [4]
  (4) Duan, X.; Huang, Y.; Agarwal, R.; Lieber, M. Nature 2003, 421, 241. doi: 10.1038/nature01353
5. [5]
  (5) Chuang, L. C.; Sedgwick, F. G.; Chen, R.; Ko,W. S.; Moewe, M.; Ng, K.W.; Tran, T. T.; Chang-Hasnain, C. Nano Lett. 2011, 11, 385. doi: 10.1021/nl102988w
6. [6]
  (6) Lu,W.; Lieber, C. M. J. Phys. D: Appl. Phys. 2006, 39, R387. (7) Wang, N.; Cai, Y.; Zhang, R. Q. Mat. Sci. Eng. R 2008, 60, 1. doi: 10.1016/j.mser.2008.01.001
7. [7]
  (8) Ye, X.; Huang, H.; Ren, X. M.; Guo, J.W.; Huang, Y. Q.;Wang, Q.; Zhang, X. Acta. Phys. Sin. 2010, 60, 036103. [叶显,黄辉, 任晓敏, 郭经纬, 黄永清, 王琦, 张霞. 物理学报, 2010, 60, 036103.] (9) Cui, J. G.; Zhang, X.; Yan, X.; Li, J. S.; Huang, Y. Q.; Ren, X. M. Physica B 2014, 452, 31. doi: 10.1016/j.physb.2014.07.006
8. [8]
  (10) Cui, J. G.; Zhang, X.; Yan, X.; Li, J. S.; Huang, Y. Q.; Ren, X. M. Acta. Phys. Sin. 2014, 63, 136103. [崔建功, 张霞, 颜鑫, 李军帅, 黄永清, 任晓敏. 物理学报, 2014, 63, 136103.] (11) Dionízio, M.; Venezuela, P.; Miwa, R. H. Nanotechnology 2010, 21, 285204. doi: 10.1088/0957-4484/21/28/285204
9. [9]
  (12) Shu, H. B.; Chen, X. S.; Zhou, X. H.; Lu,W. J. Phys. Chem. C 2010, 114, 17514. doi: 10.1021/jp105949z
10. [10]
  (13) Liao, Z.; Liu, K.; Zhang, J.; Xu, J.; Yu, D. Phys. Lett. A 2007, 367, 207. doi: 10.1016/j.physleta.2007.03.006
11. [11]
  (14) Sun, M. H.; Joyce, H. J.; Gao, Q.; Tan, H. H.; Jagadish, C.; Ning, C. Z. Nano Lett. 2012, 12, 3378. doi: 10.1021/nl300015w
12. [12]
  (15) Akiyama, T.; Nakamura, K.; Ito, T. Phys. Rev. B 2006, 73, 235308. doi: 10.1103/PhysRevB.73.235308
13. [13]
  (16) Kagimura, R.; Nunes, R.W.; Chacham, H. Phys. Rev. Lett. 2007, 98, 026801. doi: 10.1103/PhysRevLett.98.026801
14. [14]
  (17) Collins, G.; Fleming, P.; Barth, S.; Dwyer, C. O.; Boland, J. J.; Morris, M. A.; Holmes, J. D. Chem. Mater. 2010, 22, 6370. doi: 10.1021/cm1023986
15. [15]
  (18) Huang, S. P.; Xu, H.; Bello, I.; Zhang, R. Q. J. Phys. Chem. C 2010, 114, 8861. (19) Leu, P.W.; Shan, B.; Cho, K. Phys. Rev. B 2006, 73, 195320. doi: 10.1103/PhysRevB.73.195320
16. [16]
  (20) Shu, H. B.; Liang, P.;Wang, L.; Chen, X. S.; Lu,W. J. Appl. Phys. 2011, 110, 103713. (21) Ning, F.; Tang, L. M.; Zhang, Y.; Chen, K. Q. J. Appl. Phys. 2013, 114, 224304. doi: 10.1063/1.4842735
17. [17]
  (22) Liang,W. H.;Wang, X. L.; Ding, X. C.; Chu, L. Z.; Deng, Z. C.; Fu, G. S.;Wang, Y. L. Acta Phys. -Chim. Sin. 2011, 27, 1615. [梁伟华, 王秀丽, 丁学成, 褚立志, 邓泽超, 傅广生, 王英龙. 物理化学学报, 2011, 27, 1615.] doi: 10.3866/PKU.WHXB20110729
18. [18]
  (23) Zhang, F. C.; Zhang,W. H.; Dong, J. T.; Zhang, Z. Y. Acta Phys. -Chim. Sin. 2011, 27, 2326. [张富春, 张威虎, 董军堂,张志勇. 物理化学学报, 2011, 27, 2326.] doi: 10.3866/PKU.WHXB20111016
19. [19]
  (24) Cao, A.; Sudhölter, E. J .R.; de Smet, L. C. P. M. Sensors 2014, 14, 245. (25) Segall, M. D.; Lindan, P. J. D.; Probert, M. J.; Pickard, C. J.; Hasnip, P. J.; Clark, S. J.; Payne, M. C. J. Phys: Condens. Matter. 2002, 14, 2717. doi: 10.1088/0953-8984/14/11/301
20. [20]
  (26) Perdew, J. P.; Zunger, A. Phys. Rev. B 1981, 23, 5048. (27) Monkhorst, H. J.; Pack, J. D. Phys. Rev. B.1976, 13, 5188. doi: 10.1103/PhysRevB.13.5188
21. [21]
  (28) Shi, H.; Duan, Y. Phys. Lett. A 2008, 373, 165. doi: 10.1016/j.physleta.2008.11.010
22. [22]
  (29) Cahangirov, S.; Ciraci, S. Phys. Rev. B 2009, 79, 165118. doi: 10.1103/PhysRevB.79.165118
23. [23]
  (30) Lu, P.; Cao, H.; Zhang, X.; Yu, Z.; Cai, N.; Gao, T.;Wang, S. Physica E 2013, 52, 34. doi: 10.1016/j.physe.2013.03.025
24. [24]
  (31) Shen, Y.; Lu, P. F.; Yu, Z. Y.; Zhan, L.; Ye, H.; Liu, Y. M.; Yuan, G. F. Commun. Theor. Phys. 2011, 55, 693. doi: 10.1088/0253-6102/55/4/34
25. [25]
  (32) Hirshfeld, F. L. Theoret. Chim. Acta 1977, 44, 129. doi: 10.1007/BF00549096
26. [26]
  (33) Peng, X.; Copple, A. Phys. Rev. B 2013, 87, 115308. doi: 10.1103/PhysRevB.87.115308
27. [27]
  (34) Copple, A.; Ralston, N.; Peng, X. H. Appl. Phys. Lett. 2012, 100, 193108. doi: 10.1063/1.4718026
28. [28]
  (35) Vo, T.;Williamson, A. J.; Galli, G. Phys. Rev. B 2006, 74, 045116.
1. [1]
  Zhenming Xu , Mingbo Zheng , Zhenhui Liu , Duo Chen , Qingsheng Liu . Experimental Design of Project-Driven Teaching in Computational Materials Science: First-Principles Calculations of the LiFePO₄ Cathode Material for Lithium-Ion Batteries. University Chemistry, 2024, 39(4): 140-148. doi: 10.3866/PKU.DXHX202307022
2. [2]
  Cheng PENG , Jianwei WEI , Yating CHEN , Nan HU , Hui ZENG . First principles investigation about interference effects of electronic and optical properties of inorganic and lead-free perovskite Cs₃Bi₂X₉ (X=Cl, Br, I). Chinese Journal of Inorganic Chemistry, 2024, 40(3): 555-560. doi: 10.11862/CJIC.20230282
3. [3]
  Jin CHANG . Supercapacitor performance and first-principles calculation study of Co-doping Ni(OH)₂. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1697-1707. doi: 10.11862/CJIC.20240108
4. [4]
  Xin XIONG , Qian CHEN , Quan XIE . First principles study of the photoelectric properties and magnetism of La and Yb doped AlN. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1519-1527. doi: 10.11862/CJIC.20240064
5. [5]
  Liang MA , Honghua ZHANG , Weilu ZHENG , Aoqi YOU , Zhiyong OUYANG , Junjiang CAO . Construction of highly ordered ZIF-8/Au nanocomposite structure arrays and application of surface-enhanced Raman spectroscopy. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1743-1754. doi: 10.11862/CJIC.20240075
6. [6]
  Cuiwu MO , Gangmin ZHANG , Chao WU , Zhipeng HUANG , Chi ZHANG . A(NH₂SO₃) (A=Li, Na): Two ultraviolet transparent sulfamates exhibiting second harmonic generation response. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1387-1396. doi: 10.11862/CJIC.20240045
7. [7]
  Weihan Zhang , Menglu Wang , Ankang Jia , Wei Deng , Shuxing Bai . 表面硫物种对钯-硫纳米片加氢性能的影响. Acta Physico-Chimica Sinica, 2024, 40(11): 2309043-. doi: 10.3866/PKU.WHXB202309043
8. [8]
  Heng Chen , Longhui Nie , Kai Xu , Yiqiong Yang , Caihong Fang . 两步焙烧法制备大比表面积和结晶性增强超薄g-C₃N₄纳米片及其高效光催化产H₂O₂. Acta Physico-Chimica Sinica, 2024, 40(11): 2406019-. doi: 10.3866/PKU.WHXB202406019
9. [9]
  Xinting XIONG , Zhiqiang XIONG , Panlei XIAO , Xuliang NIE , Xiuying SONG , Xiuguang YI . Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1661-1670. doi: 10.11862/CJIC.20240145
10. [10]
  Liyang ZHANG , Dongdong YANG , Ning LI , Yuanyu YANG , Qi MA . Crystal structures, luminescent properties and Hirshfeld surface analyses of three cadmium(Ⅱ) complexes based on 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)benzoate. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1943-1952. doi: 10.11862/CJIC.20240079
11. [11]
  Qi Li , Pingan Li , Zetong Liu , Jiahui Zhang , Hao Zhang , Weilai Yu , Xianluo Hu . Fabricating Micro/Nanostructured Separators and Electrode Materials by Coaxial Electrospinning for Lithium-Ion Batteries: From Fundamentals to Applications. Acta Physico-Chimica Sinica, 2024, 40(10): 2311030-. doi: 10.3866/PKU.WHXB202311030
12. [12]
  Chunai Dai , Yongsheng Han , Luting Yan , Zhen Li , Yingze Cao . Preparation of Superhydrophobic Surfaces and Their Application in Oily Wastewater Treatment: Design of a Comprehensive Physical Chemistry Innovation Experiment. University Chemistry, 2024, 39(2): 34-40. doi: 10.3866/PKU.DXHX202307081
13. [13]
  Jie ZHAO , Sen LIU , Qikang YIN , Xiaoqing LU , Zhaojie WANG . Theoretical calculation of selective adsorption and separation of CO₂ by alkali metal modified naphthalene/naphthalenediyne. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 515-522. doi: 10.11862/CJIC.20230385
14. [14]
  Honglian Liang , Xiaozhe Kuang , Fuping Wang , Yu Chen . Exploration and Practice of Integrating Ideological and Political Education into Physical Chemistry: a Case on Surface Tension and Gibbs Free Energy. University Chemistry, 2024, 39(10): 433-440. doi: 10.12461/PKU.DXHX202405073
15. [15]
  Zizheng LU , Wanyi SU , Qin SHI , Honghui PAN , Chuanqi ZHAO , Chengfeng HUANG , Jinguo PENG . Surface state behavior of W doped BiVO₄ photoanode for ciprofloxacin degradation. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 591-600. doi: 10.11862/CJIC.20230225
16. [16]
  Xinlong WANG , Zhenguo CHENG , Guo WANG , Xiaokuen ZHANG , Yong XIANG , Xinquan WANG . Enhancement of the fragile interface of high voltage LiCoO₂ by surface gradient permeation of trace amounts of Mg/F. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 571-580. doi: 10.11862/CJIC.20230259
17. [17]
  Zhuomin Zhang , Hanbing Huang , Liangqiu Lin , Jingsong Liu , Gongke Li . Course Construction of Instrumental Analysis Experiment: Surface-Enhanced Raman Spectroscopy for Rapid Detection of Edible Pigments. University Chemistry, 2024, 39(2): 133-139. doi: 10.3866/PKU.DXHX202308034
18. [18]
  Yukai Jiang , Yihan Wang , Yunkai Zhang , Yunping Wei , Ying Ma , Na Du . Characterization and Phase Diagram of Surfactant Lyotropic Liquid Crystal. University Chemistry, 2024, 39(4): 114-118. doi: 10.3866/PKU.DXHX202309033
19. [19]
  Lan Ma , Cailu He , Ziqi Liu , Yaohan Yang , Qingxia Ming , Xue Luo , Tianfeng He , Liyun Zhang . Magical Surface Chemistry: Fabrication and Application of Oil-Water Separation Membranes. University Chemistry, 2024, 39(5): 218-227. doi: 10.3866/PKU.DXHX202311046
20. [20]
  Ruilin Han , Xiaoqi Yan . Comparison of Multiple Function Methods for Fitting Surface Tension and Concentration Curves. University Chemistry, 2024, 39(7): 381-385. doi: 10.3866/PKU.DXHX202311023

Get Citation

PDF

XML

Metrics

PDF Downloads(399)
Abstract views(536)
HTML views(1)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142