TY - JOUR
T1 - Strain-Induced Band-Edge Modulation in Lead-Free Antimony-Based Double Perovskite for Visible-Light Absorption
AU - Singh, Anupriya
AU - Chaurasiya, Rajneesh
AU - Bheemaraju, Amarnath
AU - Chen, Jen Sue
AU - Satapathi, Soumitra
N1 - Funding Information:
A.S. would like to acknowledge the institute postdoc fellowship from IIT, Roorkee, India. S.S. thanks the funding agency Indian Space Research Organization (STC-PHY-1563). R.C. and J.-S.C. acknowledges Ministry of Science and Technology, Taiwan, through projects MOST 110-2281-E-006-500-MY3 and 109-2221-E-006-110-MY3. We are also thankful to the National Center for High-Performance Computing (NCHC), Taiwan, for providing computational and storage resources.
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/4/25
Y1 - 2022/4/25
N2 - Herein, we synthesized Sb-based single crystals (SCs) of Cs2AgSbCl6with an impressive low bandgap of ∼1.82 eV and demonstrated the effect of strain on optical properties. Interestingly, the polycrystalline ground powder and the heated SCs of Cs2AgSbCl6exhibited a larger bandgap of ∼2.55 eV. The reduction of bandgap is attributed to the existence of strain in the SC as confirmed by X-ray diffraction and Raman spectroscopy and supported by density functional theory (DFT) calculations. The strain engineering for bandgap reduction can play a pivotal role for developing low-bandgap lead-free double perovskite for environmentally friendly solar cell applications.
AB - Herein, we synthesized Sb-based single crystals (SCs) of Cs2AgSbCl6with an impressive low bandgap of ∼1.82 eV and demonstrated the effect of strain on optical properties. Interestingly, the polycrystalline ground powder and the heated SCs of Cs2AgSbCl6exhibited a larger bandgap of ∼2.55 eV. The reduction of bandgap is attributed to the existence of strain in the SC as confirmed by X-ray diffraction and Raman spectroscopy and supported by density functional theory (DFT) calculations. The strain engineering for bandgap reduction can play a pivotal role for developing low-bandgap lead-free double perovskite for environmentally friendly solar cell applications.
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U2 - 10.1021/acsaem.1c03598
DO - 10.1021/acsaem.1c03598
M3 - Review article
AN - SCOPUS:85125747605
SN - 2574-0962
VL - 5
SP - 3926
EP - 3932
JO - ACS Applied Energy Materials
JF - ACS Applied Energy Materials
IS - 4
ER -