Iridium-Doping as a Strategy to Realize Visible-Light Absorption and p-Type Behavior in BaTiO3

Sujana Chandrappa, Simon Joyson Galbao, P. S. Sankara Rama Krishnan, Namitha Anna Koshi, Srewashi Das, Stephen Nagaraju Myakala, Seung Cheol Lee, Arnab Dutta, Alexey Cherevan, Satadeep Bhattacharjee, Dharmapura H.K. Murthy

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1 Citation (Scopus)


BaTiO3 (BTO) typically demonstrates a strong n-type character with absorption only in the ultraviolet (λ ≤ 390 nm) region. Extending the applications of BTO to a range of fields necessitates a thorough insight into how to tune its carrier concentration and extend the optical response. Despite significant progress, simultaneously inducing visible-light absorption with a controlled carrier concentration via doping remains challenging. In this work, a p-type BTO with visible-light (λ ≤ 600 nm) absorption is realized via iridium (Ir) doping. Detailed analysis using advanced spectroscopy/microscopy tools revealed mechanistic insights into the n- to p-type transition. The computational electronic structure analysis further corroborated this observation. This complementary data helped establish a correlation between the occupancy and the position of the dopant in the band gap with the carrier concentration. A decrease in the Ti3+ donor-level concentration and the mutually correlated oxygen vacancies upon Ir doping is attributed to the p-type behavior. Due to the formation of Ir3+/Ir4+ in-gap energy levels within the forbidden region, the optical transition can be elicited from or to such levels, resulting in visible-light absorption. This newly developed Ir-doped BTO is a promising semiconductor with imminent applications in solar fuel generation and optoelectronics.

Original languageEnglish
Pages (from-to)12383-12393
Number of pages11
JournalJournal of Physical Chemistry C
Issue number25
Publication statusPublished - 29-06-2023

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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