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Halide perovskites make efficient solar cells due to their exceptional optoelectronic properties, but suffer from several stability issues. The characterization of the degradation processes is challenging because of the limitations in the…

Materials Science · Physics 2022-05-25 Mike Pols , José Manuel Vicent-Luna , Ivo Filot , Adri C. T. van Duin , Shuxia Tao

Ionic liquid crystals (ILCs) are anisotropic mesogenic molecules which additionally carry charges. This combination gives rise to a complex interplay of the underlying (anisotropic) contributions to the pair interactions. It promises…

Soft Condensed Matter · Physics 2019-05-28 Hendrik Bartsch , Markus Bier , S. Dietrich

Despite the fundamental importance of solid--solid transitions for metallurgy, ceramics, earth science, reconfigurable materials, and colloidal matter, the details of how materials transform between two solid structures are poorly…

Soft Condensed Matter · Physics 2017-09-08 Chrisy Xiyu Du , Greg van Anders , Richmond S. Newman , Sharon C. Glotzer

Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…

We study the structure and morphological changes of fluids that are in contact with solid composites formed by alternating and microscopically wide stripes of two different materials. One type of the stripes interacts with the fluid via…

Statistical Mechanics · Physics 2019-12-30 Martin Pospíšil , Martin Láska , Alexandr Malijevský

We report a strongly temperature dependent luminescence Stokes shift in the electronic spectra of both hybrid and inorganic lead-bromide perovskite single crystals. This behavior stands in stark contrast to that exhibited by more…

Materials Science · Physics 2018-04-05 Yinsheng Guo , Omer Yaffe , Trevor D. Hull , Jonathan S. Owen , David R. Reichman , Louis E. Brus

Halide perovskites are promising materials for light-emitting and light-harvesting applications. In this context, two-dimensional perovskites such as nanoplatelets or Ruddlesden-Popper and Dion-Jacobson layered structures are important…

Applied Physics · Physics 2021-10-25 Sushant Ghimire , Christian Klinke

We propose and theoretically analyze a novel approach to selectively excite molecular vibrational modes through structured fluid dynamics guided by generalized symmetry-based transformations of the Navier-Stokes equations. By encoding…

General Physics · Physics 2025-05-09 Andrei Tudor Patrascu

To comprehend the complexities of the ice-water interface, we perform a study that attempts to correlate the altered dynamics of water to its perturbed structure at, and due to, the interface. The deviation from bulk values of structural…

Soft Condensed Matter · Physics 2019-08-02 Saumyak Mukherjee , Sayantan Mondal , Biman Bagchi

By performing spatially resolved Raman and photoluminescence spectroscopy with varying excitation wavelength, density, and data acquisition parameters, we have achieved a unified understanding towards the spectroscopy signatures of the…

The hybrid perovskites are coordination frameworks with the same topology as the inorganic perovskites, but with properties driven by different chemistry, including host-framework hydrogen bonding. Like the inorganic perovskites, these…

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH3NH3PbI3 with a…

Materials Science · Physics 2017-07-14 T. A. Tyson , W. Gao , Y. -S. Chen , S. Ghose , Y. Yan

A method for improving the efficiency of solar cells is combining a low-bandgap semiconductor with a singlet fission material (which converts one high energy singlet into two low energy triplets following photoexcitation). Here we present a…

Materials Science · Physics 2021-12-07 Alan R. Bowman , Samuel D. Stranks , Bartomeu Monserrat

Atomic structures of nanomaterials are inherently dynamic, continuously reshaped through interactions with chemical species and external stimuli. Such dynamics are further amplified as the size and dimensionality of nanomaterials are…

Outstanding optoelectronic properties and a facile synthesis render halide perovskite nanocrystals (NCs) a promising material for nanostructure-based devices. However, the commercialization is hindered mainly by the lack of NC stability…

Mesoscale and Nanoscale Physics · Physics 2022-09-26 Michèle G. Greiner , Andreas Singldinger , Nina A. Henke , Carola Lampe , Ulrich Leo , Moritz Gramlich , Alexander S. Urban

We present a perspective on recent observations of the photoinduced phase separation of halides in multi-component lead-halide perovskites. The spontaneous phase separation of an initial homogeneous solid solution under steady-state…

Applied Physics · Physics 2020-07-15 David T. Limmer , Naomi S. Ginsberg

Perovskites have recently brought significant advances to active nanophotonics, offering a unique combination of gain and phase-change properties for tunable light-emitting devices. However, current wavelength-tunable devices often rely on…

Previous theoretical calculations show azetidinium has the right radial size to form a 3D perovskite with lead halides [1], and has been shown to impart, as the A-site cation of ABX3 unit, beneficial properties to ferroelectric perovskites…

Structural transitions in melts as well as their dynamics are considered. It is supposed that liquid represents the solution of relatively stable solid-like locally favored structures (LFS) in the surrounding of disordered normal-liquid…

Disordered Systems and Neural Networks · Physics 2007-05-23 M. G. Vasin , V. I. Lad'yanov

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi