Shanti Liga - Academia.edu (original) (raw)

Papers by Shanti Liga

The Journal of Physical Chemistry C

Zenodo (CERN European Organization for Nuclear Research), Jul 25, 2023

Proceedings of the Materials for Sustainable Development Conference (MAT-SUS), Jul 11, 2022

Journal of Physical Chemistry Letters, Nov 22, 2022

Zenodo (CERN European Organization for Nuclear Research), Jul 26, 2022

Low-cost, nontoxic, and earth-abundant photovoltaic materials are long-sought targets in the sola... more Low-cost, nontoxic, and earth-abundant photovoltaic materials are long-sought targets in the solar cell research community. Perovskite-inspired materials have emerged as promising candidates for this goal, with researchers employing materials design strategies including structural, dimensional, and compositional transformations to avoid the use of rare and toxic elemental constituents, while attempting to maintain high optoelectronic performance. These strategies have recently been invoked to propose Ti-based vacancyordered halide perovskites (A 2 TiX 6 ; A = CH 3 NH 3 , Cs, Rb, or K; X = I, Br, or Cl) for photovoltaic operation, following the initial promise of Cs 2 SnX 6 compounds. Theoretical investigations of these materials, however, consistently overestimate their band gaps, a fundamental property for photovoltaic applications. Here, we reveal strong excitonic effects as the origin of this discrepancy between theory and experiment, a consequence of both low structural dimensionality and band localization. These findings have vital implications for the optoelectronic application of these compounds while also highlighting the importance of frontier-orbital character for chemical substitution in materials design strategies.

Chemical Communications

Cs2TiBr6 vacancy-ordered double perovskite suffers from instability in air. In this paper, we dem... more Cs2TiBr6 vacancy-ordered double perovskite suffers from instability in air. In this paper, we demonstrate a method to stabilize it using a post-synthetic treatment with SnBr4.

Proceedings of the Materials for Sustainable Development Conference (MAT-SUS)

Low-cost, non-toxic and earth-abundant photovoltaic materials are a long-sought target in the sol... more Low-cost, non-toxic and earth-abundant photovoltaic materials are a long-sought target in the solar cell research community. Perovskite-inspired materials have emerged as promising candidates for this goal, with researchers employing materials design strategies including structural, dimensional and compositional transformations to avoid the use of rare and toxic elemental constituents, while attempting to maintain high optoelectronic performance. These strategies have recently been invoked to propose Ti-based vacancy-ordered halide perovskites (A₂TiX₆; A = CH₃NH₃, Cs, Rb, K; X = I, Br, Cl) for photovoltaic operation, following the initial promise of Cs₂SnX₆ compounds. Theoretical investigations of these materials, however, consistently overestimate their band gaps – a fundamental property for photovoltaic applications. Here, we reveal strong excitonic effects as the origin of this discrepancy between theory and experiment; a consequence of both low structural dimensionality and band...

Chemical Communications, 2023

Journal of Materials Chemistry C, 2021

First colloidal synthesis of pure and mixed bromide–iodide cesium titanium perovskite nanocrystal... more First colloidal synthesis of pure and mixed bromide–iodide cesium titanium perovskite nanocrystals. By adjusting the halide precursors’ ratio, the bandgap can be tuned from 2.3 eV to 1.2 eV.