Molecular engineering of functional materials for optoelectronic applications

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Organic azides are known for their reactivity and broad applicability in organic synthesis. These compounds are pivotal in various chemical transformations, including nucleophilic substitution and cycloaddition reactions. Beyond synthetic chemistry, organi ...

Sensing and imaging of light in the shortwave infrared (SWIR) range is increasingly used in various fields, including bio-imaging, remote sensing, and semiconductor process control. SWIR-sensitive organic photodetectors (OPDs) are promising because organic ...

Due to the high ring strain and unique bonding, cyclopropenes represent important 3-carbon synthons in organic synthesis. Intrigued by the unique reactivity of cyclopropenes, we were interested in further exploration of their chemical properties. Trying to ...

Perovskite solar cells (PSCs) have garnered significant attention within the photovoltaic research community due to their remarkable progress in just one decade. Among the device configurations, the p-i-n structured PSC offers several advantages, including ...

A compact platform to integrate emitters in a cavity-like support is to embed quantum dots (QDs) in a photonic crystal (PhC) structure, making them promising candidates for integrated quantum photonic circuits. The emission properties of QDs can be modifie ...

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 ...

Sorbent are the workhorses of most contemporary separation processes. Crystalline sorbents boast descript structures that facilitate in silico study. Their diversity is matched by their varied applications. At the forefront of their currently researched ap ...

In the context of perovskite solar cells (PSCs), enhancing device performance often involves adding a small excess of lead iodide (PbI2) to the precursor solution. However, the presence of unreacted PbI2 can lead to accelerated degradation compromising lon ...

Low-dimensional materials exhibiting stable magnetic ordering are interesting from a fundamental point of view as well as for future application in information technologies. Metalorganic magnets, created by linking metal atoms with specific organic molecul ...

Efficient and robust n-i-p perovskite solar cells necessitate superior organic hole-transport materials with both mechanical and electronic prowess. Deciphering the structure-property relationship of these materials is crucial for practical perovskite sola ...

Spiro-OMeTAD is a widely used hole transport material (HTM) in perovskite solar cells (PSCs), but its inherent low hole mobility and poor thermal stability affect the overall performance of PSCs. To overcome these limitations, we develop a series of fluore ...

In this work, we provide a mechanistic understanding of the degradation of perovskite solar cells in operation by focusing on methylammonium lead triiodide (CH3NH3PbI3 or MAPbI3) and tracking the evolution of electronic defects via photo-induced current tr ...

We report a simple and effective method for producing lanthanide ion-doped lithium-fluoride-based nanocrystals (YLiF4). We utilized those nanoparticles for up-conversion in fabricated perovskite solar cells. The obtained results shows that the up-conversio ...

Bandgap-tuneable mixed-halide 3D perovskites are of interest for multi-junction solar cells, but suffer from photoinduced spatial halide segregation. Mixed-halide 2D perovskites are more resistant to halide segregation and are promising coatings for 3D per ...

Perovskite solar cells (PSCs) offer an attractive solution to increase the efficiency of PV panels via perovskite/silicon tandems thanks to their potential cost-effectiveness and high efficiency. In inverted PSC architecture (p-i-n), commonly used hole con ...

Utilization of small molecules as passivation materials for perovskite solar cells (PSCs) has gained significant attention recently, with hundreds of small molecules demonstrating passivation effects. In this study, a high-accuracy machine learning model i ...

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Perovskite solar cells have seen impressive progress in performance and stability, yet maintaining efficiency while scaling area remains a challenge. Here we find that additives commonly used to passivate large-area perovskite films often co-precipitate du ...

The technique of alloying FA+ with Cs+ is often used to promote structural stabilization of the desirable alpha-FAPbI3 phase in halide perovskite devices. However, the precise mechanisms by which these alloying approaches improve the optoelectronic quality ...

This dataset accompanies the publication "Best practices in measuring absorption at the macro- and microscale" published in APL Photonics. The data can be used to reproduce original plots in figures 1-4 in the main text and all original plots in the suppor ...

Molecular engineering of functional materials for optoelectronic applications

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Radical-Mediated Azidation of Benzylic C-H Bonds and Azidofunctionalization of Alkenes

Shortwave Infrared-Sensitive, Narrowband Organic Upconversion Devices with a Gain

Development of synthetic methods starting from cyclopropenes: taming cyclopropyl radical, cyclopropyl and cyclopropenium cations

Structural divergence of molecular hole selective materials for viable p-i-n perovskite photovoltaics: a comprehensive review

Spatial quantum-interference landscapes of multi-site-controlled quantum dots coupled to extended photonic cavity modes

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

Harnessing modular approaches in the study of crystalline sorbents

Supramolecular interactions using β-cyclodextrin in controlling perovskite solar cell performance

2D Metalorganic Ferromagnets

Durable Perovskite Solar Cells with 24.5% Average Efficiency: The Role of Rigid Conjugated Core in Molecular Semiconductors

Fluorene-Terminated π-Conjugated Spiro-Type Hole Transport Materials for Perovskite Solar Cells

Tracking deep-level defects in degrading perovskite solar cells with a multifactorial approach

Enhanced performance of perovskite solar cell via up-conversion YLiF4:Yb, Er nanoparticles

Axial-Equatorial Halide Ordering in Layered Hybrid Perovskites from Isotropic-Anisotropic 207Pb NMR

Identification and Mitigation of Degradation Mechanisms Induced by Heat and Light in NiOx-based Perovskite Solar Cells

Machine Learning for Screening Small Molecules as Passivation Materials for Enhanced Perovskite Solar Cells

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

A thermotropic liquid crystal enables efficient and stable perovskite solar modules

Alleviating nanostructural phase impurities enhances the optoelectronic properties, device performance and stability of cesium-formamidinium metal-halide perovskites

Dataset to accompany publication "Best practices in measuring absorption at the macro- and microscale"