An experimental and first-principles study on band alignments at interfaces of Cu2ZnSnS4/CdS/ZnO heterojunctions

被引：48
作者：
Dong, Zi-Yuan [1 ]
Li, Yong-Feng [1 ]
Yao, Bin [1 ,2 ,3 ]
Ding, Zhan-Hui [2 ,3 ]
Yang, Gang [1 ]
Deng, Rui [4 ]
Fang, Xuan [5 ]
Wei, Zhi-Peng [5 ]
Liu, Lei [6 ]
机构：
[1] Jilin Univ, Coll Phys, Minist Educ, Key Lab Phys & Technol Adv Batteries, Changchun 130012, Peoples R China
[2] Jilin Univ, State Key Lab Superhard Mat, Changchun 130023, Peoples R China
[3] Jilin Univ, Coll Phys, Changchun 130023, Peoples R China
[4] Changchun Univ Sci & Technol, Sch Mat Sci & Engn, Changchun 130022, Peoples R China
[5] Changchun Univ Sci & Technol, State Key Lab High Power Semicond Lasers, Changchun 130022, Peoples R China
[6] Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, State Key Lab Luminescence & Applicat, Changchun 130033, Peoples R China
来源：
JOURNAL OF PHYSICS D-APPLIED PHYSICS | 2014年 / 47卷 / 07期
基金：
中国国家自然科学基金;
关键词：
Cu2ZnSnS4; CdS; ZnO; solar cell; band alignment; x-ray photoelectron spectroscopy; first-principles calculations; TOTAL-ENERGY CALCULATIONS; SOLAR-CELLS; SEMICONDUCTORS; NANOPARTICLES; EFFICIENCY;
D O I：
10.1088/0022-3727/47/7/075304
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We investigated band offsets at Cu2ZnSnS4(CZTS)/CdS and CdS/ZnO interfaces in a typical CZTS/CdS/ZnO heterojunction solar cell by combining x-ray photoelectron spectroscopy and optical absorption spectroscopy as well as first-principles calculations. X-ray photoelectron spectroscopy and optical absorption spectroscopy measurements indicate that the conduction-band offsets at both CZTS/CdS and CdS/ZnO interfaces show type-II alignment with values of 0.13 eV and 1.00 eV, respectively, which are well supported by first-principles calculations based on the hybrid functional method. Our results suggest that, although type-II alignment for CZTS/CdS heterojunction can form less of a barrier to electron transport across the interfaces, the narrowing of the 'interface bandgap' increases recombination of carriers.
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页数：6
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