A5010607130- Metal-Organic Frameworks: Synthesis and Applications
- Theoretical and Computational Physics
- Physics of Superconductivity and Magnetism
- Advanced Condensed Matter Physics
- Catalysis and Oxidation Reactions
- Advancements in Battery Materials
- Covalent Organic Framework Applications
- Advanced Battery Materials and Technologies
- Machine Learning in Materials Science
- Electronic and Structural Properties of Oxides
- Supercapacitor Materials and Fabrication
- Membrane Separation and Gas Transport
- Lipid Membrane Structure and Behavior
- Material Dynamics and Properties
- Perovskite Materials and Applications
- Earthquake Detection and Analysis
- Surfactants and Colloidal Systems
- Organic Electronics and Photovoltaics
- Stochastic processes and statistical mechanics
- Enhanced Oil Recovery Techniques
- Organic Light-Emitting Diodes Research
- Minerals Flotation and Separation Techniques
- 2D Materials and Applications
- Seismic Waves and Analysis
- Quantum and electron transport phenomena
Karlsruhe Institute of Technology
2020-2023
University of Liverpool
2020
Florida State University
2009-2016
National High Magnetic Field Laboratory
2011-2016
Florida A&M University - Florida State University College of Engineering
2016
Abstract Mn‐based hexacyanoferrate (Mn‐HCF) cathodes for Na‐ion batteries usually suffer from poor reversibility and capacity decay resulting unfavorable phase transitions structural degradation during cycling. To address this issue, the high‐entropy concept is here applied to Mn‐HCF materials, significantly improving sodium storage capabilities of system via a solid‐solution mechanism with minor crystallographic changes upon de‐/sodiation. Complementary structural, electrochemical,...
Physisorption is an effective route to meet hydrogen gas (H2) storage and delivery requirements for transportation because it fast fully reversible under mild conditions. However, most current candidates have too small binding enthalpies H2 which leads volumetric capacity less than 10 g/L compared that of the system target 40 at 298 K. Accurate quantum mechanical (QM) methods were used determine enthalpy 5 linkers chelated with 11 different transition metals (Tm), including abundant...
Multivalent batteries show promising prospects for next-generation sustainable energy storage applications. Herein, we report a polytriphenylamine (PTPAn) composite cathode capable of highly reversible tetrakis(hexafluoroisopropyloxy) borate [B(hfip)
Abstract Graphene is inherently sensitive to vicinal dielectrics and local charge distributions, a property that can be probed by the position of Dirac point in graphene field‐effect transistors. Exploiting this as useful sensing principle requires selectivity; however, itself exhibits no molecule‐specific interaction. Complementarily, metal–organic frameworks tailored selective adsorption specific molecular species. Here, ethanol sensor demonstrated growing surface‐mounted framework...
Usually complex charge ordering phenomena arise due to competing interactions. We have studied how such ordered patterns emerge from the frustration of a long-ranged interaction on lattice. Using lattice gas model square with fixed particle density, we identified several interesting phases, as generalization Wigner crystals at low densities and stripe phases between $\ensuremath{\rho}=1/3$ $1/2$. These stripes act domain walls in checkerboard phase present half-filling. The are characterized...
Abstract Several photophysical properties of chromophores depend crucially on intermolecular interactions. Thermally‐activated delayed fluorescence (TADF) is often influenced by close packing the chromophore assembly. In this context, metal‐organic framework (MOF) approach has several advantages: it can be used to steer aggregation such that orientation within aggregated structures predicted using rational approaches. We demonstrate design concept for a DPA‐TPE...
Lanthanide-based crystalline coatings have a great potential for energy-conversion devices, but until now luminescent surface-anchored materials were difficult to fabricate. Thin films, called lanthanides surface-mounted metal-organic frameworks (SURMOFs) with tetrasubstituted halide (fluorine, chlorine, and bromine) terephthalic acid derivative linkers as basic platform optical exhibit high quantum yield of fluorescence visible the naked eyes under ambient light. We show that we can tune...
We report the first screening workflow that identifies flexible porous materials suitable for kinetic separation of gases.
We show that very long range repulsive interactions of a generalized Coulomb-like form $V(R)\sim R^{-\alpha}$, with $\alpha<d$ ($d$-dimensionality), typically introduce strong frustration, resulting in extreme fragility the charge-ordered state. An \textquotedbl{}almost frozen\textquotedbl{} liquid then survives broad dynamical above (very low) melting temperature $T_{c}$ which is proportional to $\alpha$. This \textquotedbl{}pseudogap\textquotedbl{} phase characterized by unusual...
Poly(para-xylylene)s are a unique class of chemical vapor deposition (CVD)-based polymers, generally referred to their tradename "parylenes", widely used as protective coating and insulating layer in electronics, especially printed circuit boards optical biomedical devices. Due synthesis via CVD polymerization, parylene conforms surface; however, molecularly controlled structuring particles with precise spatial arrangements over multiple hierarchical levels, tailored shapes, sizes,...
The influence of cholesterol on lipid bilayer structure is significant and the effect sorting phase separation in lipid-raft-forming model membrane systems has been well investigated by microscopy methods giant vesicles. An important consideration however fluorescence illumination state these lipids this must be carefully minimized. In paper, we show that synchrotron x-ray scattering solution mixtures an effective alternative technique for identification characterization ${l}_{o}$ (liquid...
Because of instability issues presented by metal halide perovskites based on methylammonium (MA), its replacement to Cs has emerged as an alternative improve the materials' durability. However, impact this electronic properties, especially gap energy and bulk Rashba splitting remains unclear since electrostatic interactions from organic cations can play a crucial role. Through first-principles calculations, we investigated how organic/inorganic properties MAPbI3 CsPbI3 perovskites. Although...
Two-dimensional hybrid lead iodide perovskites based on methylammonium (MA) cation and butylammonium (BA) organic spacer-such as [Formula: see text]-are one of the most explored 2D in recent years. Correlating atomistic profile these systems with their optoelectronic properties is a challenge for theoretical approaches. Here, we employed first-principles calculations via density functional theory to show how partially canceled dipole moments through text] terminal impact...
Metal organic frameworks have emerged as an important new class of materials with many applications, such sensing, gas separation, drug delivery. In cases, their performance is limited by structural defects, including vacancies and domain boundaries. the case MOF thin films, surface roughness can also a pronounced influence on MOF-based device properties. Presently, there little systematic knowledge about optimal growth conditions regard to morphologies for specific applications. this work,...
The spatial orientation of chromophores defines the photophysical and optoelectronic properties a material serves as main tunable parameter for tailoring functionality. Controlled assembly achieving predefined is rather challenging. Metal-organic frameworks (MOFs) are an attractive platform exploring virtually unlimited chemical space organic components their self-assembly device optimization. Here, we demonstrate impact interchromophore interactions on surface-anchored MOF (SURMOF) based...
We explore the stability of far-from-equilibrium metastable states a three-dimensional Coulomb glass at zero temperature by studying charge avalanches triggered slowly varying external electric field. Surprisingly, we identify sharply defined dynamical ("depinning") phase transition from stationary to nonstationary displacement critical value Using particle-conserving dynamics, scale-free system-spanning are observed only show that qualitative features this depinning completely different for...
Abstract Multivalente Batterien sind sehr vielversprechend für nachhaltige Energiespeicheranwendungen der nächsten Generation. Hier berichten wir über eine Polytriphenylamin (PTPAn)‐Verbundkathode, die in Lage ist, Tetrakis(hexafluorisopropyloxy)borat [B(hfip) 4 ] − Anionen sowohl Magnesium‐ (Mg) als auch Calcium‐ (Ca) Batteriesystemen hochreversibel zu speichern. Spektroskopische und Computerstudien zeigen den Redoxreaktionsmechanismus des PTPAn‐Kathodenmaterials. Die Mg‐ Ca‐Zellen weisen...