Sustainable p-type copper selenide solar material with ultra-large absorption coefficient

被引：29

作者：

Chen, Erica M. ^{[1
]}

Williams, Logan ^{[1
]}

Olvera, Alan ^{[1
]}

Zhang, Cheng ^{[2
]}

Zhang, Mingfei ^{[1
]}

Shi, Guangsha ^{[1
]}

Heron, John T. ^{[1
]}

Qi, Liang ^{[1
]}

Guo, L. Jay ^{[2
]}

Kioupakis, Emmanouil ^{[1
]}

Poudeu, Pierre F. P. ^{[1
]}

机构：

[1] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

[2] Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA

来源：

CHEMICAL SCIENCE | 2018年 / 9卷 / 24期

基金：

美国国家科学基金会;

关键词：

INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; OPTICAL-PROPERTIES; CONVERSION EFFICIENCY; CRYSTAL-STRUCTURE; FILM; CELL; SEMICONDUCTORS; CU2ZNSNS4; SILICON;

D O I：

10.1039/c8sc00873f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Earth-abundant solar absorber materials with large optical absorption coefficients in the visible enable the fabrication of low-cost high-efficiency single and multi-junction thin-film solar cells. Here, we report a new p-type semiconductor, Cu4TiSe4 (CTSe), featuring indirect (1.15 eV) and direct (1.34 eV) band gaps in the optimal range for solar absorber materials. CTSe crystallizes in a new noncentrosymmetric cubic structure (space group F43c) in which CuSe4 tetrahedra share edges and corners to form octahedral anionic clusters, [Cu4Se4](4-), which in turn share corners to build the three-dimensional framework, with Ti4+ ions located at tetrahedral interstices within the channels. The unique crystal structure and the Ti 3d orbital character of the conduction band of CTSe give rise to near-optimal band gap values and ultra-large absorption coefficients (larger than 10(5) cm(-1)) throughout the visible range, which are promising for scalable low-cost high-efficiency CTSe-based thin-film solar cells.

引用

页码：5405 / 5414

页数：10

共 54 条

[11]

Heyd J, 2006, J CHEM PHYS, V124, DOI [10.1063/1.2204597, 10.1063/1.1564060]

[12] Survey of methods to characterize thin absorbing films with Spectroscopic Ellipsometry [J].

Hilfiker, James N. ;

Singh, Neha ;

Tiwald, Tom ;

Convey, Diana ;

Smith, Steven M. ;

Baker, Jeffrey H. ;

Tompkins, Harland G. .

THIN SOLID FILMS, 2008, 516 (22) :7979-7989

[13] ELECTRICAL AND OPTICAL-PROPERTIES OF STANNITE-TYPE QUATERNARY SEMICONDUCTOR THIN-FILMS [J].

ITO, K ;

NAKAZAWA, T .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1988, 27 (11) :2094-2097

[14] New world record efficiency for Cu(In,Ga)Se2 thin-film solar cells beyond 20% [J].

Jackson, Philip ;

Hariskos, Dimitrios ;

Lotter, Erwin ;

Paetel, Stefan ;

Wuerz, Roland ;

Menner, Richard ;

Wischmann, Wiltraud ;

Powalla, Michael .

PROGRESS IN PHOTOVOLTAICS, 2011, 19 (07) :894-897

[15] Effect of annealing on conversion efficiency of nanostructured CdS/CuInSe2 heterojunction thin film solar cell prepared by chemical ion exchange route at room temperature [J].

Joshi, Rajesh A. ;

Taur, Vidya S. ;

Sharma, Ramphal .

MATERIALS RESEARCH BULLETIN, 2012, 47 (09) :2206-2211

[16] Development of CZTS-based thin film solar cells [J].

Katagiri, Hironori ;

Jimbo, Kazuo ;

Maw, Win Shwe ;

Oishi, Koichiro ;

Yamazaki, Makoto ;

Araki, Hideaki ;

Takeuchi, Akiko .

THIN SOLID FILMS, 2009, 517 (07) :2455-2460

[17]

Kayes B. M., 2011, P 37 IEEE

[18] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

[19] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

[20] From ultrasoft pseudopotentials to the projector augmented-wave method [J].

Kresse, G ;

Joubert, D .

PHYSICAL REVIEW B, 1999, 59 (03) :1758-1775

← 1 2 3 4 5 6 →