|
|
|
First-principles study of the band gap tuning and doping control in CdSexTe1-x alloy for high efficiency solar cell |
| Jingxiu Yang(杨竞秀)1,2, Su-Huai Wei(魏苏淮)2 |
1 Department of Materials Science and Engineering, Jilin Jianzhu University, Changchun 130118, China;
2 Beijing Computational Science Research Center, Beijing 100193, China |
|
|
|
|
Abstract CdTe is one of the leading materials for low cost, high efficiency thin-film solar cells with a nearly ideal band gap of 1.48 eV. However, its solar to electricity power conversion efficiency (PCE) is hindered by the relatively low open circuit voltage (VOC) due to intrinsic defect related issues. Here, we propose that alloying CdTe with CdSe could possibly improve the solar cell performance by reducing the “ideal” band gap of CdTe to gain more short-circuit current from long-wavelength absorption without sacrificing much VOC. Using the hybrid functional calculation, we find that the minimum band gap of the CdTe1-xSex alloy can be reduced from 1.48 eV at x=0 to 1.39 eV at x=0.32, and most of the change come from the lowering of the conduction band minimum. We also show that the formation of the alloy can improve the p-type doping of CuCd impurity based on the reduced effective formation energy and nearly constant effective transition energy level, thus possibly enhance VOC, thus PCE.
|
Received: 18 June 2019
Revised: 08 July 2019
Accepted manuscript online:
|
|
PACS:
|
61.66.Dk
|
(Alloys )
|
| |
61.72.J-
|
(Point defects and defect clusters)
|
| |
61.72.Bb
|
(Theories and models of crystal defects)
|
| |
61.72.uj
|
(III-V and II-VI semiconductors)
|
|
| Fund: Project supported by the National Key Research and Development Program of China (Grant No. 2016YFB0700700), the National Natural Science Foundation of China (Grant Nos. 51672023, 11847043, 11634003, and U1530401), and the Science Challenge Project (Grant Nos. TZ2016003 and TZ2018004) . |
Corresponding Authors:
Su-Huai Wei
E-mail: suhuaiwei@csrc.ac.cn
|
Cite this article:
Jingxiu Yang(杨竞秀), Su-Huai Wei(魏苏淮) First-principles study of the band gap tuning and doping control in CdSexTe1-x alloy for high efficiency solar cell 2019 Chin. Phys. B 28 086106
|
| [1] |
Green M A, Hishikawa Y, Dunlop E D, Levi D H, Hohl-Ebinger J and Ho-Baillie A W Y 2018 Prog. Photovolt. Res. Appl. 26 3
|
| [2] |
Duggal A R, Shiang J J, Huber W H and Halverson A F (US Patent) US20140373908A1 [2014-12-25]
|
| [3] |
Geisthardt R M, Topic M and Sites J R 2015 IEEE J. Photovolt. 5 1217
|
| [4] |
Burst J M, et al. 2016 Nat. Energy 1 16015
|
| [5] |
Yang J H, Yin W J, Park J S, Burst J, Metzger W K, Gessert T, Barnes T and Wei S H 2015 J. Appl. Phys. 118 025102
|
| [6] |
Green M A, Keith E, Yoshihiro H, Wilhelm W and Dunlop E D 2012 Prog. Photovolt. Res. Appl. 20 606
|
| [7] |
Green M A, Keith E, Yoshihiro H, Wilhelm W and Dunlop E D 2015 Prog. Photovolt. Res. Appl. 23 805
|
| [8] |
Wei S H and Zunger A 1991 Phys. Rev. B 43 1662
|
| [9] |
Wang Y, Xu J, Ren P, Zhuang X, Zhou H, Zhang Q, Zhu X and Pan A 2013 Mater. Lett. 105 90
|
| [10] |
Madelung O 1982 Semiconductors: Basic Data, 2nd edn. (Berlin: Spinger)
|
| [11] |
Wei S H, Zhang S B and Zunger A 2000 J. Appl. Phys. 87 1304
|
| [12] |
Yang X, et al. 2016 Mater. Sci. Semicond. Process. 48 27
|
| [13] |
McCandless B E, Hanket G M, Jensen D G and Birkmire R W 2002 J. Vac. Sci. Technol. A 20 1462
|
| [14] |
Paudel N R and Yan Y 2014 Appl. Phys. Lett. 105 183510
|
| [15] |
Paudel N R, Poplawsky J D, Moore K L and Yan Y 2015 IEEE J. Photovolt. 5 1492
|
| [16] |
Poplawsky J D, Guo W, Paudel N, Ng A, More K, Leonard D and Yan Y 2016 Nat. Commun. 7 12537
|
| [17] |
Islam R, Banerjee H D and Rao D R 1995 Thin Solid Films 266 215
|
| [18] |
Tit N, Obaidat I M and Alawadhi H 2009 J. Phys.: Condens. Matter 21 075802
|
| [19] |
Wen S, et al. 2017 Nanomater. (Basel) 7 380
|
| [20] |
Lingg M, Spescha A, Haass S G, Carron R, Buecheler S and Tiwari A N 2018 Sci. Technol. Adv. Mater. 19 683
|
| [21] |
MacDonald B I, Martucci A, Rubanov S, Watkins S E, Mulvaney P and Jasieniak J J 2012 ACS Nano 6 5995
|
| [22] |
Perrenoud J, Kranz L, Gretener C, Pianezzi F, Nishiwaki S, Buecheler S and Tiwari A N 2013 J. Appl. Phys. 114 174505
|
| [23] |
Kranz L, et al. 2013 Nat. Commun. 4 2306
|
| [24] |
Bätzner D L, Romeo A, Zogg H, Wendt R and Tiwari A N 2001 Thin Solid Films 387 151
|
| [25] |
Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15
|
| [26] |
Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
|
| [27] |
Perdew J P, Ruzsinszky A, Csonka G I, Vydrov O A, Scuseria G E, Constantin L A, Zhou X and Burke K 2008 Phys. Rev. Lett. 100 136406
|
| [28] |
Krukau A V, Vydrov O A, Izmaylov A F and Scuseria G E 2006 J. Chem. Phys. 125 224106
|
| [29] |
Wei S H, Ferreira L G, Bernard J E and Zunger A 1990 Phys. Rev. B 42 9622
|
| [30] |
Ma J, Wei S H, Gessert T A and Chin K K 2011 Phys. Rev. B 83 245207
|
| [31] |
Yang J H, Chen S, Xiang H, Gong X G and Wei S H 2011 Phys. Rev. B 83 235208
|
| [32] |
Yang J H, Yin W J, Park J S, Ma J and Wei S H 2016 Semicond. Sci. Technol. 31 083002
|
| [33] |
Vegard L 1921 Z. Phys. 5 17
|
| [34] |
Deng H X, Luo J W, Wei S H 2018 Chin. Phys. B 27 117104
|
| [35] |
Ma J and Wei S H 2013 Phys. Rev. B 87 241201
|
| [36] |
Zhu J, Liu F, Stringfellow G B and Wei S H 2010 Phys. Rev. Lett. 105 195503
|
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
Altmetric
|
|
blogs
Facebook pages
Wikipedia page
Google+ users
|
Online attention
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
View more on Altmetrics
|
|
|
