RAMIFICATION of SUBSTITUTION EFFECT on ELECTRONIC and OPTICAL PROPERTIES of Cs2AgBi(1-x)SbxBr6

Jagjit Kaur^a, Sudip Chakraborty^a

^aMaterials Theory for Energy Scavenging (MATES) Lab, Discipline of Physics, Indian Institute of Technology (IIT) Indore, Khandwa - Indore Road, Simrol, India

Proceedings of Online Conference on Perovskites for Energy Harvesting: From Fundamentals to Devices (PERENHAR)

Online, Spain, 2020 November 19th - 20th

Organizers: Dinesh Kabra, Sandheep Ravishankar, Angshuman Nag and Priya Mahadevan

Poster, Jagjit Kaur, 059
Publication date: 2nd November 2020

ePoster:

References:

[1] P. Hohenberg and W. Kohn, Phys. Rev., 1964, 136, B864– B871.

[2] W. Kohn and L. J. Sham, Phys. Rev., 1965, 140, A1133– A1138.

[3] P. E. Bl¨ochl, Projector augmented-wave method, Phys. Rev. B, 1994, 50, 17953–17979.

[4] G. Kresse and J. Furthm¨uller, Efficient Iterative Schemes for Ab initio Total-energy Calculations Using A Plane-Wave Basis Set, Phys. Rev. B, 1996, 54, 11169–11186.

[5] P. Perdew, K. Burke and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett., 1996, 77, 3865–3868.

[6] H. J. Monkhorst and J. D. Pack, Phys. Rev. B, 1976, 13, 5188– 5192.

[7] Adam H. Slavney, Te Hu, Aaron M. Lindenberg, and Hemamala I. Karunadasa A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic ApplicationsJournal of the American Chemical Society 2016 138 (7), 2138-2141

[8] Eric T. McClure, Molly R. Ball, Wolfgang Windl, and Patrick M. Woodward Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite SemiconductorsChemistry of Materials 2016 28 (5), 1348-1354

Acknowledgements:

I would like to acknowledge Indian Institute of Technology (IIT) Indore for the infrastructure.

nanoGe is a prestigious brand of successful science conferences that are developed along the year in different areas of the world since 2009. Our worldwide conferences cover cutting-edge materials topics like perovskite solar cells, photovoltaics, optoelectronics, solar fuel conversion, surface science, catalysis and two-dimensional materials, among many others.

MATSUS

Previously nanoGe Spring Meeting (NSM) and nanoGe Fall Meeting (NFM), MATSUS is a multiple symposia conference focused on a broad set of topics of advanced materials preparation, their fundamental properties, and their applications, in fields such as renewable energy, photovoltaics, lighting, semiconductor quantum dots, 2-D materials synthesis, charge carriers dynamics, microscopy and spectroscopy semiconductors fundamentals, etc.

International Conference on Hybrid and Organic Photovoltaics

International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.

Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics

The main topics of the Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP) are discussed every year in Asia-Pacific for gathering the recent advances in the fields of material preparation, modeling and fabrication of perovskite and hybrid and organic materials. Photovoltaic devices are analyzed from fundamental physics and materials properties to a broad set of applications. The conference also covers the developments of perovskite optoelectronics, including light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.

International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics

The International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics (NIPHO) is the best place to hear the latest developments in perovskite solar cells as well as on recent advances in the fields of perovskite light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.