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): 2406012-0. doi: 10.3866/PKU.WHXB202406012
4. [4]
  You Wu , Chang Cheng , Kezhen Qi , Bei Cheng , Jianjun Zhang , Jiaguo Yu , Liuyang Zhang . Efficient Photocatalytic Production of H₂O₂ over ZnO/D-A Conjugated Polymer S-scheme Heterojunction and Charge Transfer Dynamics Investigation. Acta Physico-Chimica Sinica, 2024, 40(11): 2406027-0. 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 . Double S-Scheme ZnS/ZnO/CdS Heterostructure Photocatalyst for Efficient Hydrogen Production. Acta Physico-Chimica Sinica, 2024, 40(11): 2406020-0. 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 . High-Stable Aqueous Zinc Metal Anodes Enabled by an Oriented ZnQ Zeolite Protective Layer with Facile Ion Migration Kinetics. Acta Physico-Chimica Sinica, 2025, 41(1): 100003-0. 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]
  Jiayu Gu , Siqi Wang , Jun Ling . Kinetics of Living Copolymerization: A Brief Discussion. University Chemistry, 2025, 40(4): 100-107. doi: 10.12461/PKU.DXHX202406012
11. [11]
  Yufan ZHAO , Jinglin YOU , Shixiang WANG , Guopeng LIU , Xiang XIA , Yingfang XIE , Meiqin SHENG , Feiyan XU , Kai TANG , Liming LU . Raman spectroscopic quantitative study of the melt microstructure in binary Li₂O-GeO₂ functional crystals. Chinese Journal of Inorganic Chemistry, 2025, 41(8): 1533-1544. doi: 10.11862/CJIC.20250063
12. [12]
  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
13. [13]
  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
14. [14]
  Jiageng Li , Putrama . 数值积分耦合非线性最小二乘法一步确定反应动力学参数. University Chemistry, 2025, 40(6): 364-370. doi: 10.12461/PKU.DXHX202407098
15. [15]
  Shujun Ning , Zhiyuan Wei , Zhening Chen , Tianmin Wu , Lu Zhang . Curvature and defect formation synergistically promote the photocatalysis of ZnO slabs. Chinese Chemical Letters, 2025, 36(7): 111057-. doi: 10.1016/j.cclet.2025.111057
16. [16]
  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
17. [17]
  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
18. [18]
  Jiajie Cai , Chang Cheng , Bowen Liu , Jianjun Zhang , Chuanjia Jiang , Bei Cheng . CdS/DBTSO-BDTO S-scheme photocatalyst for H₂ production and its charge transfer dynamics. Acta Physico-Chimica Sinica, 2025, 41(8): 100084-0. doi: 10.1016/j.actphy.2025.100084
19. [19]
  Jichao XU , Ming HU , Xichang CHEN , Chunhui WANG , Leichen WANG , Lingyi ZHOU , Xing HE , Xiamin CHENG , Su JING . Construction and hydrogen peroxide-activated chemodynamic activity of ferrocene?benzoselenadiazole conjugate. Chinese Journal of Inorganic Chemistry, 2025, 41(8): 1495-1504. doi: 10.11862/CJIC.20250144
20. [20]
  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

Get Citation

PDF

XML

Metrics

PDF Downloads(937)
Abstract views(1204)
HTML views(14)

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