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First-Principles Studies on Optical and Electrical Properties of Intrinsic and Doped SnO2/SnSe2 Heterostructures
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Huinan ZHOU1, Zhihao WANG1, Qiying LIU2, Guohua SHI2, Jianyuan YU3, Hongli ZHAO1
Journal of the Chinese Ceramic Society | 2023, 51(10) : 2626 - 2633
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Journal of the Chinese Ceramic Society | 2023, 51(10): 2626-2633
• Research Articles •
First-Principles Studies on Optical and Electrical Properties of Intrinsic and Doped SnO2/SnSe2 Heterostructures
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Huinan ZHOU1, Zhihao WANG1, Qiying LIU2, Guohua SHI2, Jianyuan YU3, Hongli ZHAO1
Affiliations
  • 1.State Key Laboratory of Metastable Materials Preparation Technology and Science, College of Materials Science and Engineering, Yanshan University, Qinhuangdao 066004, Hebei, China
  • 2.Weihai Materials Technology R&D Co.Ltd., Weihai 264200, Shandong, China
  • 3.Tangshan University, Tangshan 063000, Hebei, China

    • ZHOU Huinan (1996-), male, Master candidate. E-mail:

About Author:

ZHOU Huinan (1996-), male, Master candidate. E-mail:

Published: 2023-07-27 doi: 10.14062/j.issn.0454-5648.20230068
Outline
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It is important to improve its electrical and optical performances of transparent conductive thin films via constructing a double-layer homogeneous heterostructure with a wide and narrow band gap. The electronic structure, optical properties, carrier mobility, charge distribution, and energy band alignment of intrinsic and doped SnO2/SnSe2 were calculated using the first-principles based on density functionalities. The results show that a potential difference existing in the intrinsic and doped SnO2/SnSe2 electronic structures causes the electrons in the system to transfer to the interface or SnSe2, and the electrons at the interface form a two-dimensional electron gas (2-DEG) in the interface gap and move at a high speed at the interface, thereby increasing the mobility of carriers, while the electrons at SnSe2 have a corresponding increase in mobility due to the absence of impurity ion scattering. The mobilities are 772.82, 5 286.04, 2 656.90 m2/(S·V) and 17 724.60 m2/(S·V), respectively, and the optical transmittance is >80%.

transparent conductive oxide thin films  /  heterostructures  /  first principles  /  carrier mobility
周慧楠, 王智浩, 刘起英, 史国华, 郁建元, 赵洪力. SnO2/SnSe2异质结构物理性能的第一性原理研究. 硅酸盐学报, 2023 , 51 (10) : 2626 -2633 . DOI: 10.14062/j.issn.0454-5648.20230068
Huinan ZHOU, Zhihao WANG, Qiying LIU, Guohua SHI, Jianyuan YU, Hongli ZHAO. First-Principles Studies on Optical and Electrical Properties of Intrinsic and Doped SnO2/SnSe2 Heterostructures[J]. Journal of the Chinese Ceramic Society, 2023 , 51 (10) : 2626 -2633 . DOI: 10.14062/j.issn.0454-5648.20230068
Appendix
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Year 2023 volume 51 Issue 10
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Article Info
doi: 10.14062/j.issn.0454-5648.20230068
  • Receive Date：2023-02-13
  • Online Date：2026-10-19
  • Published：2023-07-27
Article Data
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History
  • Received：2023-02-13
  • Revised：2023-03-31
Funding
Affiliations
    1.State Key Laboratory of Metastable Materials Preparation Technology and Science, College of Materials Science and Engineering, Yanshan University, Qinhuangdao 066004, Hebei, China
    2.Weihai Materials Technology R&D Co.Ltd., Weihai 264200, Shandong, China
    3.Tangshan University, Tangshan 063000, Hebei, China

Corresponding:

ZHAO Hongli (1960-), male, Ph.D., Professor. E-mail:
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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