Outputs (493)

Removal of core hole distortion from ionization edges in electron energy loss spectroscopy (2021)
Journal Article

The near-edge fine structure in electron energy loss spectra is used to probe the electronic bonding environment of materials at high spatial resolution. Often, however, deviations from the ground state electronic properties are observed, due to the... Read More about Removal of core hole distortion from ionization edges in electron energy loss spectroscopy.

Intramolecular interchromophore singlet-singlet and triplet-singlet energy transfer in a metal-free donor-acceptor emitter (2021)
Journal Article

In this work we demonstrate the occurrence of singlet to singlet, and triplet to singlet, intramolecular energy transfer between two thiophene-comprising donors (D) and a central perylene bisimide acceptor (A) covalently linked to each other trough a... Read More about Intramolecular interchromophore singlet-singlet and triplet-singlet energy transfer in a metal-free donor-acceptor emitter.

Hot Vibrational States in a High-Performance Multiple Resonance Emitter and the Effect of Excimer Quenching on Organic Light-Emitting Diodes (2021)
Journal Article

The photophysics of multiple resonance thermally activated delayed fluorescence molecule ν-DABNA is described. We show coupling of a 285 cm–1 stretching/scissoring vibrational mode of peripheral phenyl rings to the S1 state, which dictates the ultima... Read More about Hot Vibrational States in a High-Performance Multiple Resonance Emitter and the Effect of Excimer Quenching on Organic Light-Emitting Diodes.

Effects of asymmetric acceptor and donor positioning in deep blue pyridyl-sulfonyl based TADF emitters (2021)
Journal Article

In this work, we report synthesis and photophysical properties of deep-blue emitting donor-acceptor (D-A) and donor-acceptor-donor (D-A-D) thermally activated delayed fluorescence (TADF) molecules, where the molecules designed using carbazole as a do... Read More about Effects of asymmetric acceptor and donor positioning in deep blue pyridyl-sulfonyl based TADF emitters.

Deep Learning Protein Conformational Space with Convolutions and Latent Interpolations (2021)
Journal Article

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein conformational... Read More about Deep Learning Protein Conformational Space with Convolutions and Latent Interpolations.

Acridone-amine D-A-D thermally activated delayed fluorescence emitters with narrow resolved electroluminescence and their electrochromic properties (2021)
Journal Article

Acridones have found their role in luminescent materials for OLEDs. Most interestingly, showing potential as weak charge transfer thermally activated delayed fluorescence (TADF) emitters, providing narrow photoluminescence. In this work, we present a... Read More about Acridone-amine D-A-D thermally activated delayed fluorescence emitters with narrow resolved electroluminescence and their electrochromic properties.

Capillary Bridges on Liquid-Infused Surfaces (2021)
Journal Article

We numerically study two-component capillary bridges formed when a liquid droplet is placed in between two liquid-infused surfaces (LIS). In contrast to commonly studied one-component capillary bridges on noninfused solid surfaces, two-component liqu... Read More about Capillary Bridges on Liquid-Infused Surfaces.

Micro-scale kinetics and heterogeneity of a pH triggered hydrogel (2012)
Journal Article

PE and PS Lipids Synergistically Enhance Membrane Poration by a Peptide with Anticancer Properties (2015)
Journal Article

Shaping up synthetic cells (2018)
Journal Article

Stiffening and inelastic fluidization in vimentin intermediate filament networks (2019)
Journal Article

Halogens (F, Cl and Br) at Oldoinyo Lengai volcano (Tanzania): Effects of magmatic differentiation, silicate–natrocarbonatite melt separation and surface alteration of natrocarbonatite (2013)
Journal Article

Halogen abundances of natrocarbonatites and their alteration products from Oldoinyo Lengai (Tanzania) are compared to those of associated silicate rocks and to various calcite carbonatites from eleven occurrences worldwide. Fresh natrocarbonatites ar... Read More about Halogens (F, Cl and Br) at Oldoinyo Lengai volcano (Tanzania): Effects of magmatic differentiation, silicate–natrocarbonatite melt separation and surface alteration of natrocarbonatite.

Structural and magnetic phase diagram of epitaxial La0.7Sr0.3MnO3 from first principles (2021)
Journal Article

ABO$_3$ perovskites host a huge range of symmetry lowering structural distortions, each of which can tune, or even switch on or off, different functional properties due to the strong coupling between the lattice and spin and charge degrees of freedom... Read More about Structural and magnetic phase diagram of epitaxial La0.7Sr0.3MnO3 from first principles.

The 2021 Magnonics Roadmap (2021)
Journal Article

Differentiated Strain-Control of Localized Magnetic Modes in Antidot Arrays (2021)
Journal Article

The control of localized magnetic modes has been obtained in Ni60Fe40 square lattice (600 nm) antidot arrays. This has been performed by tailoring the magnetoelastic field at the scale of the antidot primitive cell. The corresponding heterogeneous st... Read More about Differentiated Strain-Control of Localized Magnetic Modes in Antidot Arrays.

Experimental study of chlorite authigenesis and influence on porosity maintenance in sandstones (2021)
Journal Article

Chlorite is recognized as a key mineral for preserving reservoir quality in deeply buried sandstones, as chlorite coatings inhibit the nucleation of quartz overgrowths. A limited understanding of the mechanisms and conditions under which these authig... Read More about Experimental study of chlorite authigenesis and influence on porosity maintenance in sandstones.

Dual emission in purely organic materials for optoelectronic applications (2020)
Journal Article

Purely organic molecules, which emit light by dual emissive (DE) pathways, have received increased attention in the last decade. These materials are now being utilized in practical optoelectronic, sensing and biomedical applications. In order to furt... Read More about Dual emission in purely organic materials for optoelectronic applications.

Calculation and interpretation of classical turning surfaces in solids (2021)
Journal Article

Classical turning surfaces of Kohn–Sham potentials separate classically allowed regions (CARs) from classically forbidden regions (CFRs). They are useful for understanding many chemical properties of molecules but need not exist in solids, where the... Read More about Calculation and interpretation of classical turning surfaces in solids.

Silylethynyl Substitution for Preventing Aggregate Formation in Perylene Diimides (2021)
Journal Article

Ethynylene-bridged perylene diimides (PDIs) with different sized silane groups have been synthesized as a steric blocking group to prevent the formation of non-radiative trap sites, for example, strong H-aggregates and other dimers or excimers. Excit... Read More about Silylethynyl Substitution for Preventing Aggregate Formation in Perylene Diimides.

Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation (2020)
Journal Article

The synthetic methodology to covalently link donors to form cyclophane-based thermally activated delayed fluorescence (TADF) molecules is presented. These are the first reported examples of TADF cyclophanes with “electronically innocent” bridges betw... Read More about Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation.