Proceedings of Online nanoGe Fall Meeting 20 (OnlineNFM20)
Publication date: 4th October 2020
Two-dimensional (2D) halide perovskites are promising materials for environmentally stable next-generation optoelectronic device applications. Strong and complex dynamic coupling between the inorganic layer and the spacer cations play an important role on determining the photo-physical properties of these mechanically ‘soft’ 2D-perovskites at room-temperature. However, there is little atomistic understanding of the charge carrier dynamics at ambient conditions for these materials, limiting the possibilities to tune their optoelectronic performances through compositional engineering routes. In this talk, I will present our recent work where we combine nonadiabatic molecular dynamics with time-domain density functional theory methods at room temperature and study the dominant non-radiative carrier recombination and dephasing processes in monolayered lead halide perovskites. Our systematic study demonstrates that performance-limiting nonradiative carrier recombination processes greatly depend on the electron-phonon interactions induced by structural fluctuations and instantaneous charge localization in these materials. The stiffer interlayer packing in presence of selectively chosen spacer cations (benzene ring or cyclic dication based), which separates the lead iodide slabs, reduces the thermal fluctuations in these 2D-perovskites to a greater extent.[1-2] These dynamic modifications reduce the inelastic electron-phonon scattering and enhance the photogenerated charge carrier lifetime in layered perovskites making them suitable for various optoelectronic devices. The computational insights gained from these studies allow us to outline a set of robust design principles for 2D halide perovskites to strategically tune their optoelectronic properties.
The work at Los Alamos National Laboratory (LANL) was supported by the LANL LDRD
program. This work was done in part at the Center for Nonlinear Studies (CNLS) and the
Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy and Office of
Basic Energy Sciences user facility, at LANL. This research used resources provided by the
LANL Institutional Computing Program. Los Alamos National Laboratory is operated by
Triad National Security, LLC, for the National Nuclear Security Administration of the U.S.
Department of Energy (Contract No. 89233218NCA000001).
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.
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.
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.