TY - JOUR
T1 - Synthesis, characterization and chemical stability of silicon dichalcogenides, Si(SexS1−x)2
AU - Chen, Chen
AU - Zhang, Xiaotian
AU - Krishna, Lakshmi
AU - Kendrick, Chito
AU - Shang, Shun Li
AU - Toberer, Eric
AU - Liu, Zi Kui
AU - Tamboli, Adele
AU - Redwing, Joan M.
N1 - Funding Information:
This work was supported by the fund from the Chinese Council of Scholar (No. 2013049101 ), the Research Corporation for Science Advancement (Grant no. 22869 ), and the Department of Energy under NREL NPO (No. 424-36 3736 ). S.L.S. and Z.K.L. would like to thank the financial support from the National Science Foundation under Grant No. CHE-1230924 . The authors acknowledge helpful discussions with Reuben Collins throughout the study.
Publisher Copyright:
© 2016 Elsevier B.V.
PY - 2016/10/15
Y1 - 2016/10/15
N2 - Silicon dichalcogenides have an intriguing crystal structure consisting of long tetrahedral chains held together by van der Waals forces but the electronic and optical properties have been less explored. In the present work, bulk SiSe2, SiS2, and Si(SexS1−x)2 were synthesized by the congruent melt growth method and characterized by Raman spectroscopy, X-ray Diffraction and UV/visible/IR transmission measurements supported by first-principles calculations. First-principles calculations reveal a nearly linear decrease of band gap energy in Si(SexS1−x)2 with increasing Se content, i.e., from SiS2 to SiSe2 which corresponds with a blue-shift in the transmission spectra from bulk SiSe2 to Si(Se0.6S0.4)2, and to SiS2. Air stability tests demonstrate the formation of toxic H2Se/H2S gas from sample oxidation at room temperature upon exposure to ambient air, and great care should be paid when handling these materials.
AB - Silicon dichalcogenides have an intriguing crystal structure consisting of long tetrahedral chains held together by van der Waals forces but the electronic and optical properties have been less explored. In the present work, bulk SiSe2, SiS2, and Si(SexS1−x)2 were synthesized by the congruent melt growth method and characterized by Raman spectroscopy, X-ray Diffraction and UV/visible/IR transmission measurements supported by first-principles calculations. First-principles calculations reveal a nearly linear decrease of band gap energy in Si(SexS1−x)2 with increasing Se content, i.e., from SiS2 to SiSe2 which corresponds with a blue-shift in the transmission spectra from bulk SiSe2 to Si(Se0.6S0.4)2, and to SiS2. Air stability tests demonstrate the formation of toxic H2Se/H2S gas from sample oxidation at room temperature upon exposure to ambient air, and great care should be paid when handling these materials.
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U2 - 10.1016/j.jcrysgro.2015.12.005
DO - 10.1016/j.jcrysgro.2015.12.005
M3 - Article
AN - SCOPUS:84951047087
SN - 0022-0248
VL - 452
SP - 151
EP - 157
JO - Journal of Crystal Growth
JF - Journal of Crystal Growth
ER -