Absorption Spectra of CuGaSe2 and CuInSe2 Semiconducting Nanoclusters

Handle URI:
http://hdl.handle.net/10754/594242
Title:
Absorption Spectra of CuGaSe2 and CuInSe2 Semiconducting Nanoclusters
Authors:
Mokkath, Junais Habeeb; Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The structural and optical properties of the chalcopyrite CunGanSe2n and CunInnSe2n nanoclusters (n = 2, 4, 6, and 8) are investigated as a function of the size using a combination of basin-hopping global optimization and time-dependent density functional theory. Although the lowest energy structures are found to show almost random geometries, the band gaps and absorption spectra still are subject to systematic blue shifts for decreasing cluster size in the case of CunGanSe2n, indicating strong electron confinement. The applicability of the nanoclusters in photovoltaics is discussed. © 2015 American Chemical Society.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Mokkath JH, Singh N, Schwingenschlögl U (2015) Absorption Spectra of CuGaSe 2 and CuInSe 2 Semiconducting Nanoclusters . The Journal of Physical Chemistry C 119: 22732–22736. Available: http://dx.doi.org/10.1021/acs.jpcc.5b07350.
Publisher:
American Chemical Society (ACS)
Journal:
The Journal of Physical Chemistry C
Issue Date:
Oct-2015
DOI:
10.1021/acs.jpcc.5b07350
Type:
Article
ISSN:
1932-7447; 1932-7455
Sponsors:
King Abdullah University of Science and Technology
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorMokkath, Junais Habeeben
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2016-01-19T14:44:11Zen
dc.date.available2016-01-19T14:44:11Zen
dc.date.issued2015-10en
dc.identifier.citationMokkath JH, Singh N, Schwingenschlögl U (2015) Absorption Spectra of CuGaSe 2 and CuInSe 2 Semiconducting Nanoclusters . The Journal of Physical Chemistry C 119: 22732–22736. Available: http://dx.doi.org/10.1021/acs.jpcc.5b07350.en
dc.identifier.issn1932-7447en
dc.identifier.issn1932-7455en
dc.identifier.doi10.1021/acs.jpcc.5b07350en
dc.identifier.urihttp://hdl.handle.net/10754/594242en
dc.description.abstractThe structural and optical properties of the chalcopyrite CunGanSe2n and CunInnSe2n nanoclusters (n = 2, 4, 6, and 8) are investigated as a function of the size using a combination of basin-hopping global optimization and time-dependent density functional theory. Although the lowest energy structures are found to show almost random geometries, the band gaps and absorption spectra still are subject to systematic blue shifts for decreasing cluster size in the case of CunGanSe2n, indicating strong electron confinement. The applicability of the nanoclusters in photovoltaics is discussed. © 2015 American Chemical Society.en
dc.description.sponsorshipKing Abdullah University of Science and Technologyen
dc.publisherAmerican Chemical Society (ACS)en
dc.titleAbsorption Spectra of CuGaSe2 and CuInSe2 Semiconducting Nanoclustersen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalThe Journal of Physical Chemistry Cen
kaust.authorMokkath, Junais Habeeben
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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