Citation: LIU Yong-Li, LIU Huan, LI Wei, ZHAO Qian, QI Yang. Effect of Substrate Temperature on the Growth and Microstructure of ZnO Film[J]. Acta Physico-Chimica Sinica, ;2013, 29(03): 631-638. doi: 10.3866/PKU.WHXB201212122 shu

Effect of Substrate Temperature on the Growth and Microstructure of ZnO Film

LIU Yong-Li ¹ ,
LIU Huan ¹ ,
LI Wei ¹ ,
ZHAO Qian ² ,
QI Yang ^1,

1.
1 Institute of Material Physics and Chemistry, College of Science, Northeastern University, Shenyang 110819, P. R. China;
2 Physics Experiment Center, College of Science, Shenyang University of Technology, Shenyang 110031, P. R. China

Received Date: 12 September 2012
Available Online: 12 December 2012
Fund Project: 教育部中央高校基本科研业务费(N100305001, N110205001, N110105001) (N100305001, N110205001, N110105001)国家自然科学基金(51172040)资助项目 (51172040)

Understanding the effect of temperature on the orientation, microstructure, integrity, and growth mechanism of ZnO films on the atomic scale is needed to clarify the process of film growth, control deposition conditions, and improve film quality. Using the reaction force field method of molecular dynamics, we theoretically studied the effect of substrate temperature (200, 500, and 800 K) on the quality of ZnO films. Some of our results agree with experimental observations. We found that the radial distribution function curves of the deposited structures were sharp and highly ordered. The thin film formed at 500 K possessed the most stable and ordered structure of those investigated. The film grew with an island mechanism, and two orientations were present on every deposited atomic plane, which led to the formation of a special fault structure at interfacial regions.
- Molecular dynamics method,
- Film growth,
- Microstructure,
- ZnO
1. [1]
  
  (1) Yu, P.; Tang, Z. K.;Wong, G. K. L.; Kawasaki, M.; Ohtomo, A.;Koinuma, H.; Segawa, Y. Solid State Commun. 1997, 103, 459.doi: 10.1016/S0038-1098(97)00216-0
2. [2]
  (2) Bagnall, D. M.; Chen, Y. F.; Zhu, Z.; Yao, T.; Koyama, S.;Shen, M. Y.; to, T. Appl. Phys. Lett. 1997, 70, 2230. doi: 10.1063/1.118824
3. [3]
  (3) Wang, J.; Zhuang, H. Z.; Xue, C. S.; Li, J. L.; Xu, P. ActaPhys. -Chim. Sin. 2010, 26, 2840. [王杰, 庄惠照, 薛成山,李俊林, 徐鹏. 物理化学学报, 2010, 26, 2840.] doi: 10.3866/PKU.WHXB20101024
4. [4]
  (4) Peng, F.; Chen, S. H.; Zhang, L.;Wang, H. J.; Xie, Z. Y. ActaPhys. -Chim. Sin. 2005, 21, 944. [彭峰, 陈水辉, 张雷,王红娟, 谢志勇. 物理化学学报, 2005, 21, 944.] doi: 10.3866/PKU.WHXB20050824
5. [5]
  (5) Jing, T.; Zheng, J. J.; Xu,W.; Tian, X. C.; Lin, J. H. ActaPhys. -Chim. Sin. 2011, 27, 2613. [汤儆, 郑晶晶, 徐炜,田晓春, 林建航. 物理化学学报, 2011, 27, 2613.] doi: 10.3866/PKU.WHXB20111117
6. [6]
  (6) Wu, Z. Q.;Wang, B. Film Growth; Beijing Science Press:Beijing, 2001; p 65. [吴自勤, 王兵. 薄膜生长. 北京:北京科学出版社, 2001: 65]
7. [7]
  (7) Sun, C.W.; Liu, Z.W.; Qin, F.W.; Zhang, Q. Y.; Liu, K.;Wu, S.F. Acta Phys. Sin. 2006, 55, 1390. [孙成伟, 刘志文, 秦福文,张庆瑜, 刘琨, 吴世法. 物理学报, 2006, 55, 1390.]
8. [8]
  (8) Baguer, N.; Georgieva, V.; Calderin, L.; Ilian, T. T.; Sake, V. G.;Annemie, B. J. Cryst. Growth 2009, 311, 4034. doi: 10.1016/j.jcrysgro.2009.06.034
9. [9]
  (9) van Duin, A. C. T.; Dasgupta, S.; Lorant, F.; ddard,W. A., III.J. Phys. Chem. A 2001, 105, 9396. doi: 10.1021/jp004368u
10. [10]
  (10) van Duin, A. C. T.; Strachan, A.; Stewman, S.; Zhang, Q.; Xu,X.; ddard,W. A., III. J. Phys. Chem. A 2003, 107, 3803.
11. [11]
  (11) Tersoff, J. Phys. Rev. Lett. 1988, 61, 2879. doi: 10.1103/PhysRevLett.61.2879
12. [12]
  (12) Benner, D.W. Phys. Rev. B 1990, 42, 9458.
13. [13]
  (13) Rappé, A; ddard,W. A., III. J. Phys. Chem. 1991, 95,3358. doi: 10.1021/j100161a070
14. [14]
  (14) Raymand, D.; van Duin, A. C. T.; Baudin, M.; Hermanssonet,K. Surf. Sci. 2008, 602, 1020. doi: 10.1016/j.susc.2007.12.023
15. [15]
  (15) Gale, J. D.; Raiteri, P.; van Duin, A. C. T. Phys. Chem. Chem.Phys. 2011, 13, 16666.
16. [16]
  (16) Garcia, A. P.; Sen, D.; Buehler, M. J.; Metall. Mater. Trans. A2011, 42, 3889. doi: 10.1007/s11661-010-0477-y
17. [17]
  (17) Garcia1, A. P.; Pugno, N.; Buehler, M. J. Adv. Eng. Mater. 2011,13, B405.
18. [18]
  (18) Lee, E. K.; Choi, H.; Chung, Y. C. J. Nanosci. Nanotechno.2011, 11, 10595. doi: 10.1166/jnn.2011.4063
19. [19]
  (19) Wagner, M. R.; Bartel, T. P.; Kirste, R.; Hoffmann, A.; Sann, J.;Lautenschläger, S.; Meyer, B. K.; Kieselowski, C. Phys. Rev. B2009, 79, 035307. doi: 10.1103/PhysRevB.79.035307
20. [20]
  (20) Plimpton, S. J. J. Comput. Phys. 1995, 117, 1 doi: 10.1006/jcph.1995.1039
21. [21]
  (21) Yao, Y. B. Handbook of Physics and Chemistry; ShanghaiScience Press: Shanghai, 1985. [姚允斌. 物理化学手册.上海: 上海科学技术出版社, 1985.]
22. [22]
  (22) Kim, K. S.; Kim, H.W.; Lee, C. M. Mater. Sci. Eng. B 2003,98, 135. doi: 10.1016/S0921-5107(02)00754-7
23. [23]
  (23) Chiang, T. Y.; Daia, C. L.; Lian, D. M. J. Alloy. Compd. 2011,509, 5623. doi: 10.1016/j.jallcom.2011.02.093
24. [24]
  (24) Wang, J. H.; Qi, Y.; Zhi, Z. Z.; Guo, J.; Li, M. L.; Zhang, Y.Smart Mater. Struct. 2007, 16, 2673. doi: 10.1088/0964-1726/16/6/072
25. [25]
  (25) Kubo, M.; Oumi, Y.; Takaba, H.; Chatterjee, A.; Miyamoto, A.Phys. Rev. B 2000, 61, 16187. doi: 10.1103/PhysRevB.61.16187
1. [1]
  Qiaoqiao BAI , Anqi ZHOU , Xiaowei LI , Tang LIU , Song LIU . Construction of pressure-temperature dual-functional flexible sensors and applications in biomedicine. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2259-2274. doi: 10.11862/CJIC.20240128
2. [2]
  Bing Shen , Tongwei Yuan , Wenshuang Zhang , Yang Chen , Jiaqiang Xu . Complex shell Fe-ZnO derived from ZIF-8 as high-quality acetone MEMS sensor. Chinese Chemical Letters, 2024, 35(11): 109490-. doi: 10.1016/j.cclet.2024.109490
3. [3]
  Pei Li , Yuenan Zheng , Zhankai Liu , An-Hui Lu . Boron-Containing MFI Zeolite: Microstructure Control and Its Performance of Propane Oxidative Dehydrogenation. Acta Physico-Chimica Sinica, 2025, 41(4): 100034-. doi: 10.3866/PKU.WHXB202406012
4. [4]
  You Wu , Chang Cheng , Kezhen Qi , Bei Cheng , Jianjun Zhang , Jiaguo Yu , Liuyang Zhang . ZnO/D-A共轭聚合物S型异质结高效光催化产H₂O₂及其电荷转移动力学研究. Acta Physico-Chimica Sinica, 2024, 40(11): 2406027-. doi: 10.3866/PKU.WHXB202406027
5. [5]
  Shule Liu . Application of SPC/E Water Model in Molecular Dynamics Teaching Experiments. University Chemistry, 2024, 39(4): 338-342. doi: 10.3866/PKU.DXHX202310029
6. [6]
  Asif Hassan Raza , Shumail Farhan , Zhixian Yu , Yan Wu . 用于高效制氢的双S型ZnS/ZnO/CdS异质结构光催化剂. Acta Physico-Chimica Sinica, 2024, 40(11): 2406020-. doi: 10.3866/PKU.WHXB202406020
7. [7]
  Yiying Yang , Dongju Zhang . Elucidating the Concepts of Thermodynamic Control and Kinetic Control in Chemical Reactions through Theoretical Chemistry Calculations: A Computational Chemistry Experiment on the Diels-Alder Reaction. University Chemistry, 2024, 39(3): 327-335. doi: 10.3866/PKU.DXHX202309074
8. [8]
  Shanghua Li , Malin Li , Xiwen Chi , Xin Yin , Zhaodi Luo , Jihong Yu . 基于高离子迁移动力学的取向ZnQ分子筛保护层实现高稳定水系锌金属负极的构筑. Acta Physico-Chimica Sinica, 2025, 41(1): 2309003-. doi: 10.3866/PKU.WHXB202309003
9. [9]
  Yaling Chen . Basic Theory and Competitive Exam Analysis of Dynamic Isotope Effect. University Chemistry, 2024, 39(8): 403-410. doi: 10.3866/PKU.DXHX202311093
10. [10]
  Jinfu Ma , Hui Lu , Jiandong Wu , Zhongli Zou . Teaching Design of Electrochemical Principles Course Based on “Cognitive Laws”: Kinetics of Electron Transfer Steps. University Chemistry, 2024, 39(3): 174-177. doi: 10.3866/PKU.DXHX202309052
11. [11]
  Yeyun Zhang , Ling Fan , Yanmei Wang , Zhenfeng Shang . Development and Application of Kinetic Reaction Flasks in Physical Chemistry Experimental Teaching. University Chemistry, 2024, 39(4): 100-106. doi: 10.3866/PKU.DXHX202308044
12. [12]
  Xuzhen Wang , Xinkui Wang , Dongxu Tian , Wei Liu . Enhancing the Comprehensive Quality and Innovation Abilities of Graduate Students through a “Student-Centered, Dual Integration and Dual Drive” Teaching Model: A Case Study in the Course of Chemical Reaction Kinetics. University Chemistry, 2024, 39(6): 160-165. doi: 10.3866/PKU.DXHX202401074
13. [13]
  Dexin Tan , Limin Liang , Baoyi Lv , Huiwen Guan , Haicheng Chen , Yanli Wang . Exploring Reverse Teaching Practices in Physical Chemistry Experiment Courses: A Case Study on Chemical Reaction Kinetics. University Chemistry, 2024, 39(11): 79-86. doi: 10.12461/PKU.DXHX202403048
14. [14]
  Yue Wu , Jun Li , Bo Zhang , Yan Yang , Haibo Li , Xian-Xi Zhang . Research on Kinetic and Thermodynamic Transformations of Organic-Inorganic Hybrid Materials for Fluorescent Anti-Counterfeiting Application information: Introducing a Comprehensive Chemistry Experiment. University Chemistry, 2024, 39(6): 390-399. doi: 10.3866/PKU.DXHX202403028
15. [15]
  Jie Ren , Hao Zong , Yaqun Han , Tianyi Liu , Shufen Zhang , Qiang Xu , Suli Wu . Visual identification of silver ornament by the structural color based on Mie scattering of ZnO spheres. Chinese Chemical Letters, 2024, 35(9): 109350-. doi: 10.1016/j.cclet.2023.109350
16. [16]
  Qinghong Pan , Huafang Zhang , Qiaoling Liu , Donghong Huang , Da-Peng Yang , Tianjia Jiang , Shuyang Sun , Xiangrong Chen . A self-powered cathodic molecular imprinting ultrasensitive photoelectrochemical tetracycline sensor via ZnO/C photoanode signal amplification. Chinese Chemical Letters, 2025, 36(1): 110169-. doi: 10.1016/j.cclet.2024.110169
17. [17]
  Hongyun Liu , Jiarun Li , Xinyi Li , Zhe Liu , Jiaxuan Li , Cong Xiao . Course Ideological and Political Design of a Comprehensive Chemistry Experiment: Constructing a Visual Molecular Logic System Based on Intelligent Hydrogel Film Electrodes. University Chemistry, 2024, 39(2): 227-233. doi: 10.3866/PKU.DXHX202309070
18. [18]
  Yan Li , Xinze Wang , Xue Yao , Shouyun Yu . 基于激发态手性铜催化的烯烃E→Z异构的动力学拆分——推荐一个本科生综合化学实验. University Chemistry, 2024, 39(5): 1-10. doi: 10.3866/PKU.DXHX202309053
19. [19]
  Hongwei Ma , Hui Li . Three Methods for Structure Determination from Powder Diffraction Data. University Chemistry, 2024, 39(3): 94-102. doi: 10.3866/PKU.DXHX202310035
20. [20]
  Lijuan Wang , Yuping Ning , Jian Li , Sha Luo , Xiongfei Luo , Ruiwen Wang . Enhancing the Advanced Nature of Natural Product Chemistry Laboratory Courses with New Research Findings: A Case Study of the Application of Berberine Hydrochloride in Photodynamic Antimicrobial Films. University Chemistry, 2024, 39(11): 241-250. doi: 10.12461/PKU.DXHX202403017

Get Citation

PDF

XML

Metrics

PDF Downloads(937)
Abstract views(1134)
HTML views(12)

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