Publication date: 17th February 2025
Metal-halide perovskites (MHPs) have emerged as leading candidates for optoelectronic devices [1] and show great potential for photocatalytic applications [2]. Their bulk properties are significantly influenced by atomic motions at finite temperature, including anharmonic effects, ionic migration, and even phase segregation under illumination. At MHP surfaces, where the bonding network is disrupted and dangling bonds are present, such atomic motions are intensified and can be expected to severely impact the stability and the performance of MHPs.
In this talk, two fundamental aspects of MHP surfaces will be addressed: firstly, the origins of (in-)stability in MHP surfaces will be revisited and compared for tin- and lead-halide perovskite surfaces from molecular dynamics simulations [3]. The degradation mechanism of MHP surfaces and their chemical origins will be discussed. Additionally, the impacts of water and oxygen on the surface degradation will be disentangled, and their detrimental synergistic effects will be highlighted [4]. Second, the dynamical origin of benign electronic surface states in MHPs will be demonstrated, as revealed by machine-learning molecular dynamics simulations [5]. Best practices for modeling MHP surfaces will be showcased, and atomistic insights into the crucial role of the soft lead-halide scaffold in suppressing deep surface states will be derived.
[1] S. Stranks, H.J. Snaith, Nat. Nanotech. 2015, 10, 391–402
[2] L. Romani, et al. Angew. Chem. 2021, 60, 7, 3611-3618
[3] W. Kaiser, et al. J. Phys. Chem. Lett. 2022, 13, 10, 2321–2329
[4] J. Hidalgo, et al. J. Am. Chem. Soc. 2023, 145, 45, 24549-24557
[5] F. Delgado, F. Simoes, L. Kronik, W. Kaiser, D.A. Egger, et al. In preparation
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.