Strain-Induced Band-Edge Modulation in Lead-Free Antimony-Based Double Perovskite for Visible-Light Absorption

Anupriya Singh; Rajneesh Chaurasiya; Amarnath Bheemaraju; Jen Sue Chen; Soumitra Satapathi

doi:10.1021/acsaem.1c03598

Strain-Induced Band-Edge Modulation in Lead-Free Antimony-Based Double Perovskite for Visible-Light Absorption

Anupriya Singh, Rajneesh Chaurasiya, Amarnath Bheemaraju, Jen Sue Chen, Soumitra Satapathi

Department of Materials Science and Engineering

Research output: Contribution to journal › Review article › peer-review

14 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	3926-3932
Number of pages	7
Journal	ACS Applied Energy Materials
Volume	5
Issue number	4
DOIs	https://doi.org/10.1021/acsaem.1c03598
Publication status	Published - 2022 Apr 25

All Science Journal Classification (ASJC) codes

Chemical Engineering (miscellaneous)
Energy Engineering and Power Technology
Materials Chemistry
Electrical and Electronic Engineering
Electrochemistry

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10.1021/acsaem.1c03598

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title = "Strain-Induced Band-Edge Modulation in Lead-Free Antimony-Based Double Perovskite for Visible-Light Absorption",

abstract = "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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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

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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Strain-Induced Band-Edge Modulation in Lead-Free Antimony-Based Double Perovskite for Visible-Light Absorption

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