Why choosing the right partner is important: stabilization of ternary Cs(y)GUA(x)FA((1-y-x))PbI(3)perovskites

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In the third study, the order-disorder phase transition of single-crystal C60 is studied using time-resolved electron microscopy. Solid C60 undergoes a first-order phase transition upon heating to 260 K. This is a structural transition from the low-tempera ...

The impact of photon recycling (PR) and of luminescent coupling (LC) on the photovoltaic performance of all-perovskite tandem solar cells is analyzed by the means of optical and full opto-electronic device simulation. Optical processes are assessed using a ...

Halide perovskites have gained tremendous attention over the past decade, but the poor stability of perovskite solar cells (PSCs) under operating conditions hampers their practical application. This thesis investigates materials that can be used to enhance ...

Host-guest complexation offers a promising approach for mitigating surface defects in perovskite solar cells (PSCs). Crown ethers are the most widely used macrocyclic hosts for complexing perovskite surfaces, yet their supramolecular interactions and funct ...

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

Full-area passivating contacts based on SiOx/poly-Si stacks are key for the new generation of industrial silicon solar cells substituting the passivated emitter and rear cell (PERC) technology. Demonstrating a potential efficiency increase of 1 to 2% compa ...

We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5d1 transition-metal double perovskite Cs2TaCl6 using a combination of computational and experimental techniques. Our heat ca ...

The presence of defects at the interface between the perovskite film and the carrier transport layer poses significant challenges to the performance and stability of perovskite solar cells (PSCs). Addressing this issue, we introduce a dual host-guest (DHG) ...

This dataset underpins the following article published in the Journal of Physical Chemistry Letters: "The Impact of Spacer Size on Charge Transfer Excitons in Dion-Jacobson and Ruddlesden-Popper Layered Hybrid Perovskites" DOI: 10.1021/acs.jpclett.3c01125 ...

The Jahn-Teller (JT) effect involves the ions M with a degenerate electronic state distorting the corner-sharing MO6 octahedra to lift the degeneracy, inducing strong coupling of electrons to lattice, and mediating the exotic properties in perovskite oxide ...

Perovskite solar cells have emerged as the most promising cheaper photovoltaic technology. Besides solar cells, halide perovskites have a wide range of applications due to their remarkable optoelectronic properties. Starting from 3.8% in 2009, solar to the ...

Dopant-free hole transporting materials (HTMs) is significant to the stability of perovskite solar cells (PSCs). Here, we developed a novel star-shape arylamine HTM, termed Py-DB, with a pyrene core and carbon-carbon double bonds as the bridge units. Compa ...

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

Perovskite solar modules (PSMs) show outstanding power conversion efficiencies (PCEs), but long-term operational stability remains problematic. We show that incorporating N,N-dimethylmethyleneiminium chloride into the perovskite precursor solution formed d ...

Ferroelectric perovskite oxides are widely used in sensors, actuators and optical modulators and, at the same time, they show promise for implementation in future applications such as energy storage, memory and cooling devices. At the infancy of the discov ...

Solar photovoltaics (PV) is one of the most competitive renewable energy technologies in order to meet the increasing global energy demand and decrease CO2 emissions by competing effectively with fossil fuels. One of the important applications of PV energy ...

Hybrid halide perovskites are currently one of the most studied semiconductors. However, due to poor intrinsic and extrinsic stability, further developments to commercialize devices based on hybrid halide perovskites are limited. Many different strategies ...

We present a new setup for resonant inelastic hard x-ray scattering at the Bernina beamline of SwissFEL with energy, momentum, and temporal resolution. The compact R = 0.5 m Johann-type spectrometer can be equipped with up to three crystal analyzers and al ...

Analysis of the temperature- and stimulus-dependent imaging data toward elucidation of the physical transformations is an ubiquitous problem in multiple fields. Here, temperature-induced phase transition in BaTiO3 is explored using the machine learning ana ...

Perovskite-based solar cells are currently the most rapidly advancing photovoltaic technology but concerns about their long-term stability are still impeding full-scale commercialization. This thesis provides computational insights into some of the stabili ...

Why choosing the right partner is important: stabilization of ternary Cs(y)GUA(x)FA((1-y-x))PbI(3)perovskites

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Direct Observation of the Phase Transition in C60 Fullerene

Effects of Photon Recycling and Luminescent Coupling in All-Perovskite Tandem Solar Cells Assessed by Full Opto-electronic Simulation

Materials engineering for improved stability of perovskite solar cells

Tailored Supramolecular Interactions in Host–Guest Complexation for Efficient and Stable Perovskite Solar Cells and Modules

Murunskite - a new class of functional material

Development and characterization of N2O-plasma oxide layers for high-temperature p-type passivating contacts in silicon solar cells

Charge multipole correlations and order in Cs2TaCl6

Stabilization of highly efficient perovskite solar cells with a tailored supramolecular interface

Dataset of "The Impact of Spacer Size on Charge Transfer Excitons in Dion-Jacobson and Ruddlesden-Popper Layered Hybrid Perovskites"

Anti-Jahn-Teller effect induced ultrafast insulator to metal transition in perovskite BaBiO3

Molecular dynamics simulations of nucleation and phase transition in halide perovskites

Dopant-Free Pyrene-Based Hole Transporting Material Enables Efficient and Stable Perovskite Solar Cells

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Cation reactivity inhibits perovskite degradation in efficient and stable solar modules

Ferroelectric Effects Probed by in situ Transmission Electron Microscopy

Reliability and Long-term Performance of Building Integrated Photovoltaic (BIPV) Modules

Structure-property relationships and mixed conductivity in layered hybrid perovskites based on phenyl-derived spacers

A setup for hard x-ray time-resolved resonant inelastic x-ray scattering at SwissFEL

Decoding the Mechanisms of Phase Transitions from In Situ Microscopy Observations

Computational Studies on the Stability of Organic-Inorganic Hybrid Halide Lead Perovskites