Probing Strain-Induced Band Gap Modulation in 2D Hybrid Organic-Inorganic Perovskites - Supporting Information

Abstract

In photovoltaics and flexible electronics applications, two-dimensional (2D) hybrid organicinorganic perovskites (HOIPs) are often subjected to mechanical strain arising from materials processing, device functioning, and thermal expansion. Here we report for the first time a study of the band gap response to uniaxial tensile strain in thin 2D HOIP flakes with a general formula of (CH3(CH2)3NH3)2(CH3-NH3)n-1PbnI3n+1. At large n (n > 3), the band gap will increase as the strain increases, and the strain response of band gap can be as high as 13.3 meV/% for n = 5, which is due to the rotation of the inorganic [PbI6]4- octahedra and the consequential Pb-I bond stretching and increase of Pb-I-Pb. Our findings provide a route to engineer the electronic properties of 2D HOIPs. The observed band gapstrain relationship can be harnessed to map the local mechanical strain in 2D HOIP-based devices and allow 2D HOIPs for sensing applications.

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Document Details

Document Type
Technical Report
Publication Date
Feb 26, 2019
Accession Number
AD1104994

Entities

People

  • Christopher Wolverton
  • Gajendra S Shekhawat
  • Ioannis Spanopoulos
  • Mercouri Kanatzidis
  • Qing Tu
  • Shiqiang Hao
  • Vinayak P. Dravid

Organizations

  • Northwestern University

Tags

Communities of Interest

  • Air Platforms

DTIC Thesaurus Topics

  • Amines
  • Band Gaps
  • Band Structures
  • Brillouin Zones
  • Chemistry
  • Crystal Structure
  • Crystals
  • Diffraction
  • Energy Bands
  • Gunpowder
  • Materials
  • Materials Science
  • Methylamine
  • Simulations
  • Single Crystals
  • X Rays
  • X-Ray Diffraction

Readers

  • Mechanical Engineering/Mechanics of Materials.
  • Solar Photovoltaics and Thermoelectric Devices.
  • Systems Analysis and Design

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene