Linking Surface Chemistry to Phonon and Carrier Dynamics in CsPbBr3 Nanocrystals

Thomas Haward^a, Vincent Lim^a, Ihor Cherniukh^b^,^c, Maryna Bodnarchuk^b^,^c, Maksym Kovalenko^b^,^c, Laura Herz^a

^aDepartment of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, U.K

^bDepartment of Chemistry and Applied Biosciences, Laboratory of Inorganic Chemistry, ETH Zürich, Vladimir-Prelog-Weg 1, Zürich CH-8093, Switzerland

^cLaboratory for Thin Films and Photovoltaics, Empa−Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, Dübendorf CH-8600, Switzerland

Proceedings of MATSUS Spring 2026 Conference (MATSUSSpring26)

D6 Emerging Low-Dimensional Perovskite Emitters- Synthesis, Photophysics and Application

Barcelona, Spain, 2026 March 23rd - 27th

Organizers: Krishanu Dey and Junzhi Ye

Oral, Thomas Haward, presentation 485
Publication date: 15th December 2025

Lead halide perovskite nanocrystals have emerged as promising candidates for light-emitting devices and quantum light sources due to their high photoluminescence quantum yield, narrow emission linewidths, and tuneable emission. The chemistry of the ligand shell plays a critical role in stabilising the nanocrystal surface and governing their optoelectronic performance, yet directly assessing surface quality remains challenging. In this talk, we correlate vibrational fingerprints with charge-carrier dynamics to reveal a cohesive picture linking ligand-induced surface disorder to the photophysical performance of perovskite nanocrystals. We further demonstrate ultralow-frequency Raman spectroscopy as a powerful and surface-sensitive probe for resolving subtle changes arising from nanocrystal size and ligand chemistry.

By investigating a size series spanning the strong- (5 nm) to weak-confinement (28 nm) regimes, we show that the linewidths of Raman-active phonon modes provide a highly selective metric of surface disorder and structural quality. Extending this approach to a set of 28 nm nanocrystals capped with four different zwitterionic ligands, we uncover clear correlations between ligand steric effects, surface disorder, and phonon broadening observed in the Raman response.

Complementary photoluminescence and terahertz photoconductivity measurements reveal an evident correlation of charge-carrier dynamics and radiative emission yields with ligand chemistry and surface quality inferred from phonon broadening. In particular, we show that surface defects preferentially trap hot carriers, thereby diminishing exciton stability and radiative recombination.

This work offers powerful insights into optimising nanocrystal-ligand boundaries to enhance the performance of nanoscale quantum light sources and optoelectronic devices.

References:

[1] Haward, T.B.; Lim, V.J.-Y.; Cherniukh, I.; Bodnarchuk, M.I.; Kovalenko, M.V.; Herz, L.M. Correlated Vibrational and Electronic Signatures of Surface Disorder in CsPbBr3 Nanocrystals. ACS Nano. 2025, 19 (46), 40159-40169

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.