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Selection of optimal mixing ratios to obtain suitable photoelectrodes from mixed semiconductors using band gap calculations

DSpace at IIT Bombay

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Title Selection of optimal mixing ratios to obtain suitable photoelectrodes from mixed semiconductors using band gap calculations
 
Creator KRISHNA, KM
SHARON, M
MISHRA, MK
MARATHE, VR
 
Subject electronic-structure
solar-cell
photoelectrochemical
solar cell
band gap
insulator
semiconductor
density of cscbs, lcao
 
Description We present results from the application of a computational package Selection of Semiconductor Composition for Photoelectrochemical Solar Cells (SSCPECS) developed to assist in the selection of stoichiometric compounds of mixed materials and the best mixing ratio for narrowing the extent of further experimental investigations. These calculations can provide an estimate of the mixing ratio for obtaining a desired band gap and thereby assist in developing appropriate electrodes for photovoltaic (dry and wet) solar cells. The package has been applied to 28 different semiconductors and insulators. Applications to mixed oxide semiconductor systems PbO2-TiO2 and PbO-SnO establish its applicability for the purpose mentioned above. The computer program is based on the Charge-Self-Consistent Band Structure (CSCBS) method and the calculated band gaps for pure and mixed semiconductors are quite reasonable. The software package is available on request.
 
Publisher PERGAMON-ELSEVIER SCIENCE LTD
 
Date 2011-08-26T10:50:04Z
2011-12-26T12:57:24Z
2011-12-27T05:40:15Z
2011-08-26T10:50:04Z
2011-12-26T12:57:24Z
2011-12-27T05:40:15Z
1996
 
Type Article
 
Identifier ELECTROCHIMICA ACTA, 41(13), 1999-2004
0013-4686
http://dx.doi.org/10.1016/0013-4686(96)00004-7
http://dspace.library.iitb.ac.in/xmlui/handle/10054/11282
http://hdl.handle.net/10054/11282
 
Language en