Informatics-aided bandgap engineering for solar materials

Computational Materials Science

Volumn 83, Issue , 2014, Pages 185-195

  Dey, Partha ^a   Bible, Joe ^b   Datta, Somnath ^b   Broderick, Scott ^a   Jasinski, Jacek ^c   Sunkara, Mahendra ^c   Menon, Madhu ^d   Rajan, Krishna ^a  

^a Iowa State University of Science and Technology   (United States)

^b UNIVERSITY OF LOUISVILLE   (United States)

^c University of Louisville   (United States)

^d UNIVERSITY OF KENTUCKY   (United States)

Author keywords

Bandgap; Chalcopyrites; Compound semi conductors; Informatics; Solar materials

Indexed keywords

BAND GAP ENGINEERING; CHALCOPYRITES; INFORMATICS; MATERIALS FOR SOLAR CELLS; ORDINARY LEAST SQUARES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; SOLAR MATERIALS; SPARSE PARTIAL LEAST SQUARES;

COMPUTATIONAL CHEMISTRY; INFORMATION SCIENCE; LEAST SQUARES APPROXIMATIONS; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS;

ENERGY GAP;

EID: 84889259535     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.10.016     Document Type: Article

References (43)

1. J. Eberhardt, H. Metzner, T. Hahn, U. Reislöhner, J. Cieslaka, U. Grossner, R. Goldhahn, F. Hudert, G. Gobsch, and W. Witthuhn J. Phys. Chem. Solids 64 2003 1781 1785
2. W.R.L. Lambrecht, and S.N. Rashkeev J. Phys. Chem. Solids 64 2003 1615 1619
3. H. Tototzintle-Huitle, and R. Baquero J. Phys. Chem. Solids 68 2007 1 9
4. S.V. Dudiy, and A. Zunger Phys. Rev. Lett. 97 2006 046401
5. S. Curtarolo, D. Morgan, K. Perrson, J. Rodgers, and G. Ceder Phys. Rev. Lett. 91 2003 135503
6. C.C. Fischer, K.J. Tibbetts, D. Morgan, and G. Ceder Nat. Mater. 5 2006 641 646
7. C. Suh, and K. Rajan Appl. Surf. Sci. 223 2004 148 158
8. V. Barnett, and T. Lewis Outliers in Statistical Data third ed. 1994 John Wiley & Sons
9. N.S. Lewis, and D.G. Nocera Proc. Natl. Acad. Sci. 103 2006 15729 15735
10. A. Jager-Waldau Sol. Energy Mater. Sol. Cells 95 2011 1509 1517
11. J. Kaneshiro, N. Gaillard, R. Rocheleau, and E. Miller Sol. Energy Mater. Sol. Cells 94 2010 12 16
12. S. Siebentritt, and U. Rau Wide-Gap Chalcopyrites 2006 Springer
13. A.A. Rockett Curr. Opin. Solid State Mater. Sci. 14 2010 143 148
14. A.G. Jackson, S.R. Leclair, M.C. Ohmer, W. Ziarko, and H. Al-Kamhwi Acta Mater. 44 1996 4475 4484
15. A.G. Jackson, Z. Pawlak, and S.R. LeClair J. Alloys Compd. 279 1998 14 21
16. Y. Zeng, S.J. Chua, and P. Wu Chem. Mater. 14 2002 2989 2998
17. P.V. Balachandran, S.R. Broderick, and K. Rajan Proc. R. Soc. A 467 2011 2271 2290
18. S.R. Broderick, H. Aourag, and K. Rajan Phys. B 406 2011 2055 2060
19. S.R. Broderick, and K. Rajan Europhys. Lett. 95 2011 57005
20. X. Li, L. Petersen, S. Broderick, B. Narasimhan, and K. Rajan ACS Comb. Sci. 13 2011 50 58
21. C.S. Kong, J. Yu, F.C. Minion, and K. Rajan ACS Comb. Sci. 13 2011 562 571
22. C.S. Kong, W. Luo, S. Arapan, P. Villars, S. Iwata, R. Ahuja, and K. Rajan J. Chem. Inf. Model. 52 2012 1812 1820
23. A. Rajagopalan, C. Suh, X. Li, and K. Rajan Appl. Catal. A-General 254 2003 147 160
24. Trevor Hastie, Robert Tibshirani, and Jerome Friedman Elements of Statistical Learning: Data Mining, Inference and Prediction 2001 Springer-Verlag New York
25. R. Tibshirani J. R. Stat. Soc. B 58 1996 267 288
26. Hui Zou, and Trevor Hastie J. R. Stat. Soc. B 67 2005 301 320
27. Z. Pawlak Int. J. Comput. Inform. Sci. 11 1982 341 356
28. P. Dey, S. Dey, S. Datta, and J. Sil Appl. Soft Comput. 11 2011 3887 3897
29. T. Korenius, J. Laurikkala, and M. Juhola Inf. Sci. 177 2007 4893 4905
30. J.E. Jaffe, and A. Zunger Phys. Rev. B 29 1984 1882 1906
31. S.N. Rashkeev, S. Limpijumnong, and W.R.L. Lambrecht Physical Reveiw B 59 1999 2737 2748
32. A. Continenza, S. Massidda, and J. Freeman Phys. Rev. B 46 1992 10070 10077
33. W.C. Sheets, E.S. Stampler, M.I. Bertoni, M. Sasaki, T.J. Marks, O.T. Mason, and K.R. Poppelmeier Inorg. Chem. 47 2008 2696 2704
34. H. Yanagi, S.-I. Inoue, K. Ueda, H. Kawazoe, H. Hosono, and N. Hamada J. Appl. Phys. 88 2000 4159 4163
35. M.J. Han, T. Hase, S. Ibuki, K. Ueda, and H. Hosono Appl. Phys. Lett. 78 2001 1583 1585
36. M. Snure, and A. Tiwari Appl. Phy. Lett. 91 2007 092123
37. T. Kajiki, M. Hayashi, and H. Takizawa Mater. Lett. 61 2007 2382 2384
38. L.-J. Chen, J.-D. Liao, and Y.-J. Chuang Cryst. Eng. Commun. 13 2011 2909 2914
39. D.O. Scanlon, and A. Walsh Appl. Phys. Lett. 100 2012 251911
40. W. Scott J. Appl. Phys. 44 1973 5165
41. T. Misaki, K. Tsuchiya, D. Sakai, A. Wakahara, H. Okada, and A. Yoshida Phys. Stat. Sol. 2002 188 191
42. M. Kozhenikov, V. Narayanmurthy, A. Mascarenhas, Y. Zhang, J.M. Olson, and D.L. Smith Appl. Phys. Lett. 75 1999 1128 1130
43. F. Chiker, Z. Kebbab, R. Miloua, and N. Benramdane Sol. State Commun. 151 2011 1568 1573