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Milos Dubajic

@mdubajic.bsky.social

Postdoc at the University of Cambridge. Crystallography, optical microscopy and ultrafast spectroscopy.

5 Posts15 Follower 22 Folgt

Milos Dubajic @mdubajic.bsky.social · 5d ago

Ever wondered how X-ray diffraction works? Now you are able to visualise it in 3D in your web browser for any crystal structure of your choice. Run it: dubajicmilos.github.io/assets/diffr... The full tutorial video: www.youtube.com/watch?v=wYKH... The source code: github.com/dubajicmilos...

Aron ⇋ e⁻@aronwalsh.github.io · 11mo ago

How could you not love #crystallography? An approximation of the incommensurate structure of Y⅓TaO₃ #ChemSky arxiv.org/pdf/2511.01241

A large crystal structure model of Y1/3TaO3 in a 12x12x2 expansion

Milos Dubajic @mdubajic.bsky.social · 11mo ago

How to check the epitaxial relationship of an orthorhombic film on a monoclinic substrate? In our Science paper led by Yang Lu, I helped with SC-XRD to solve this complex puzzle! 🧩 See the atomistic model of PEA₂PbBr₄/CsPbBr₃ heterostructure we extracted in the animation below! 👇

Aron ⇋ e⁻@aronwalsh.github.io · last yr.

Worth checking the post today! Proud of this paper and nice to see it in physical form www.nature.com/articles/s41... #ChemSky #Perovskite

Photograph of a journal cover of Nature Nanotechnology illustrating a tilted domain in a perovskite crystal

Nature Nanotechnology @natnano.nature.com · last yr.

In our June 2025 issue, we cover - Next-generation perovskite photovoltaics, - DNA computing & data storage, - Majorana stability, - Superelasticity in GeSe ceramics, - Li batteries, - Pt nanocatalysts, - mRNA vaccines against malaria, & much more. www.nature.com/nnano/volume...

The cover image captures a snapshot of the cubic methylammonium lead tribromide perovskite lattice dynamics, revealing a picosecond-lived octahedral out-of-phase tilt nanodomain that has a significant influence on the material's macroscopic performance.

Dubajic, M., et al. Nat. Nanotechnol. 20, 755–763 (2025). https://doi.org/10.1038/s41565-025-01917-0

Abstract
Lead halide perovskites have emerged as promising materials for solar energy conversion and X-ray detection owing to their remarkable optoelectronic properties. However, the microscopic origins of their superior performance remain unclear. Here we show that low-symmetry dynamic nanodomains present in the high-symmetry average cubic phases, whose characteristics are dictated by the A-site cation, govern the macroscopic behaviour. We combine X-ray diffuse scattering, inelastic neutron spectroscopy, hyperspectral photoluminescence microscopy and machine-learning-assisted molecular dynamics simulations to directly correlate local nanoscale dynamics with macroscopic optoelectronic response. Our approach reveals that methylammonium-based perovskites form densely packed, anisotropic dynamic nanodomains with out-of-phase octahedral tilting, whereas formamidinium-based systems develop sparse, isotropic, spherical nanodomains with in-phase tilting, even when crystallography reveals cubic symmetry on average. We demonstrate that these sparsely distributed isotropic nanodomains present in formamidinium-based systems reduce electronic dynamic disorder, resulting in a beneficial optoelectronic response, thereby enhancing the performance of formamidinium-based lead halide perovskite devices. By elucidating the influence of the A-site cation on local dynamic nanodomains, and consequently, on the macroscopic properties, we propose leveraging this relationship to engineer the optoelectronic response of these materials, propelling further advancements in perovskite-based photovoltaics, optoelectronics, and X-ray imaging.

Michael Nielsen @lasermike.bsky.social · last yr.

Finally published in @natnano.nature.com, this work shows how A-site cation in perovskites influences dynamic nanodomains, fleeting pockets of tilted octahedra, lurking in the lattice. Nanoscale crystallography driving macroscopic performance! www.nature.com/articles/s41...

Dynamic nanodomains dictate macroscopic properties in lead halide perovskites - Nature Nanotechnology

Dynamic nanodomains in lead halide perovskites, dictated by A-site cations, crucially affect the optoelectronic properties by modulating electronic disorder and consequently enabling better solar cell...

nature.com