The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications

Abstract

The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications, Journal of Solid State Chemistry, http: //dx.doi.org/10. 1016/j.jssc.2014.02.014 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting galley proof before it is published in its final citable form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. www.elsevier.com/locate/jsscThe electronic structure of the antimony chalcogenide series:Prospects for optoelectronic applications

Sb2S3 grown by ultrasonic spray pyrolysis and its application in a hybrid solar cell

“…The bandgaps obtained are in accordance with an E g of 1.55–1.72 eV reported for Sb 2 S 3 films deposited by spray pyrolysis [48]. Theoretical calculations predict an even lower direct optical transition of 1.40 eV [49]. An absorber bandgap of 1.65 eV is found in solar cells with Sb 2 S 3 prepared by ALD [5,19] or in solar cells with Sb 2 S 3 prepared by CBD, as estimated from the photocurrent edge at around 750 nm in the published EQE plots [2,4,6–9 11–12 15–17 40–41 50–53].…”

Efficient technique for computational design of thermoelectric materials

“…[28], and with experimental values of 0.11 eV 29 and 0.16 eV 30,31 . Our computed band gap R3m-E g,Sb2T e3 is larger than another one also calculated with VASP of 0.09 eV 32 , however, somewhat closer to the experimental range from 0.29 to 0.46 eV 33,34 . In all scenarios, Bi, Sb and Te s states lie below -6 eV in the valence band.…”

Amorphous Ge‐Sb‐Se thin films fabricated by co‐sputtering: Properties and photosensitivity

“…4 The VB top is comprising from Se 4p lone‐pair ( lp ) states, whereas CB bottom is described as coming from Ge 4s ‐Se 4p anti‐bonding states . Moreover, according Carey et al, in Sb 2 Se 3 the VB is comprised of Sb 5s / p with a contribution from Se 4p states, based on the DFT calculation. According to XPS data published by Sati et al for bulk Ge 40‐x Sb x Se 60 (x = 8, 20) glasses, the peaks in the spectra ascribed to Se lp electron states and Sb 5p bonding electrons in Sb–Sb bonds are found at the very top of the valence band.…”