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Prediction of a New Phase of Cu xS near Stoichiometric Composition
Joint Authors
Khatri, Prashant
Huda, Muhammad N.
Source
International Journal of Photoenergy
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-04-05
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
Cu2S is known to be a promising solar absorber material due to its suitable band gap and the abundance of its constituent elements.
Cu2S is known to have complex phase structures depending on the concentration of Cu vacancies.
Its instability of phases is due to favorable formation of Cu vacancies and the mobility of Cu atoms within the crystal.
Understanding its phase structures is of crucial important for its application as solar absorber material.
In this paper, we have predicted a new crystal phase of copper sulfide (Cu xS) around chemical composition of x = 1.98 by utilizing crystal database search and density functional theory.
We have shown that this new crystal phase of Cu xS is more favorable than low chalcocite structure even at stoichiometric composition of x = 2 .
However, Cu vacancy formation probability was found to be higher in this new phase than the low chalcocite structure.
American Psychological Association (APA)
Khatri, Prashant& Huda, Muhammad N.. 2015. Prediction of a New Phase of Cu xS near Stoichiometric Composition. International Journal of Photoenergy،Vol. 2015, no. 2015, pp.1-7.
https://search.emarefa.net/detail/BIM-1066511
Modern Language Association (MLA)
Khatri, Prashant& Huda, Muhammad N.. Prediction of a New Phase of Cu xS near Stoichiometric Composition. International Journal of Photoenergy No. 2015 (2015), pp.1-7.
https://search.emarefa.net/detail/BIM-1066511
American Medical Association (AMA)
Khatri, Prashant& Huda, Muhammad N.. Prediction of a New Phase of Cu xS near Stoichiometric Composition. International Journal of Photoenergy. 2015. Vol. 2015, no. 2015, pp.1-7.
https://search.emarefa.net/detail/BIM-1066511
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1066511