Kondensierte Materie in Experiment und Theorie - KOMET
- Beziehungen:
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- Electrical Scanning Probe Microscopy of an Integrated Blocking Layer
- Mapping of Local Conductivity Variations on Fragile Nanopillar Arrays by Scanning Conductive Torsion Mode Microscopy
- Electrical Modes in Scanning Probe Microscopy
- High viscosity environments: an unexpected route to obtain true atomic resolution with atomic force microscopy
- Open loop Kelvin probe force microscopy with single and multi-frequency excitation
- Employing artificial neural networks to find reaction coordinates and pathways for self-assembly
- Oberflächenladungen an der CaF2‐Wasser‐Grenzfläche erlauben eine sehr schnelle intermolekulare Übertragung von Schwingungsenergie
- Electron transfer properties from atomistic simulations and density functional theory
- Applications of density functional theory-based methods in medicinal chemistry
- Cation-π versus OH-π interactions in proteins:: A density functional study
- Calculation of redox properties: Understanding short- and long-range effects in rubredoxin
- Ab initio molecular dynamics study of ascorbic acid in aqueous solution
- Electron transfer induced dissociation of chloro-cyano-benzene radical anion: Driving chemical reactions via charge restraints
- Quantum mechanical/molecular mechanical (OM/MM) car-parrinello Simulations in excited states
- A variational definition of electrostatic potential derived charges
- Reaction mechanism of caspases: Insights from QM/MM Car-Parrinello simulations
- Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions
- The rational of catalytic activity of herpes simplex virus thymidine kinase - A combined biochemical and quantum chemical study
- A new force field including charge directionality for TMAO in aqueous solution
- Molecular Dynamics Simulations of SFG Librational Modes Spectra of Water at the Water-Air Interface
- Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution
- Flow Behavior of Chain and Star Polymers and Their Mixtures
- Simulations of homogeneous and structured polymeric nanoparticle formation through rapid solvent exchange
- On the Shape-Selected, Ligand-Free Preparation of Hybrid Perovskite (CH3NH3PbBr3) Microcrystals and Their Suitability as Model-System for Single-Crystal Studies of Optoelectronic Properties
- Confinement-Induced Fractionation and Liquid-Liquid Phase Separation of Polymer Mixtures
- Martini 3 Model of Cellulose Microfibrils: On the Route to Capture Large Conformational Changes of Polysaccharides
- Characterization of Quantum Dot/Conducting Polymer Hybrid Films and Their Application in Light-Emitting Diodes
- Coarse-grained models for shear-induced transitions in block copolymer thin films
- Single-chain and condensed-state behavior of hnRNPA1 from molecular simulations
- Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110)
- Surface Charges at the CaF2/Water Interface Allow Very Fast Intermolecular Vibrational-Energy Transfer
- Wetting transitions of polymer solutions: Effects of chain length and chain stiffness
- Crystal Prediction via Genetic Algorithms in a Model Chiral System
- Rapid Precipitation of Ionomers for Stabilization of Polymeric Colloids
- Effect of Surfactant Selectivity on Shape and Inner Morphology of Triblock Terpolymer Microparticles
- Cell-Sized Confinements Alter Molecular Diffusion in Concentrated Polymer Solutions Due to Length-Dependent Wetting of Polymers
- Employing Artificial Neural Networks to Identify Reaction Coordinates and Pathways for Self-Assembly
- Spontaneous Charging of Drops on Lubricant-Infused Surfaces
- Fine Customization of Calcium Phosphate Nanostructures with Site-Specific Modification by DNA Templated Mineralization
- Intrinsic Acidity of Surface Sites in Calcium Silicate Hydrates and Its Implication to Their Electrokinetic Properties
- Understanding the evolution of lithium dendrites at Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques
- Absolute acidity of clay edge sites from ab-initio simulations
- The Electron Attachment Energy of the Aqueous Hydroxyl Radical Predicted from the Detachment Energy of the Aqueous Hydroxide Anion
- Photoreduction of SERS-Active Metallic Nanostructures on Chemically Patterned Ferroelectric Crystals
- A hybrid TDDFT/MM investigation of the optical properties of aminocoumarins in water and acetonitrile solution
- Role of image charges in ionic liquid confined between metallic interfaces
- Role of Strong Localized vs Weak Distributed Interactions in Disordered Protein Phase Separation
- On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids
- Tuning the Charge of Sliding Water Drops
- Molecular dynamics studies of caspase-3
- Grafting Silicone at Room Temperature-a Transparent, Scratch-resistant Nonstick Molecular Coating
- Charging of Dielectric Surfaces in Contact with Aqueous Electrolytes?the Influence of CO2
- Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement
- Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water
- Two birds with one stone: dual grain-boundary and interface passivation enables >22% efficient inverted methylammonium-free perovskite solar cells
- Molecular Mechanism of Crystal Growth Inhibition at the Calcium Oxalate/Water Interfaces
- Interaction of Charged Amino-Acid Side Chains with Ions: An Optimization Strategy for Classical Force Fields
- Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water
- Bimodal Acidity at the Amorphous Silica/Water Interface
- Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics
- Diffusion and sedimentation in colloidal suspensions using multiparticle collision dynamics with a discrete particle model
- Understanding Gas Transport in Polymer-Grafted NanoparticleAssemblies
- Role of pH in the synthesis and growth of gold nanoparticles using L-asparagine: a combined experimental and simulation study
- Self-Assembly of Amphiphilic Cubes in Suspension
- Kelvin Probe Force Microscopy in Nonpolar Liquids
- Light Induced Charging of Polymer Functionalized Nanorods
- Chemical Strain Engineering of MAPbI3 Perovskite Films
- Spontaneous charging affects the motion of sliding drops
- Real-space observation of unbalanced charge distribution inside a perovskite-sensitized solar cell
- Probing charge screening dynamics and electrochemical processes at the solid-liquid interface with electrochemical force microscopy
- Charging of drops impacting onto superhydrophobic surfaces
- Effect of Charge Distribution on the Dynamics of Polyampholytic Disordered Proteins
- Surface Modification of TiO2 Photoanodes with Fluorinated Self-Assembled Mono layers for Highly Efficient Dye-Sensitized Solar Cells
- Template-Based Preparation of Free-Standing Semiconducting Polymeric Nanorod Arrays on Conductive Substrates
- Local Time-Dependent Charging in a Perovskite Solar Cell
- Humidity-Induced Grain Boundaries in MAPbI3 Perovskite Films
- IM30 IDPs form a membrane-protective carpet upon super-complex disassembly
- pKa at Quartz/Electrolyte Interfaces
- A Microscopic Interpretation of Pump-Probe Vibrational Spectroscopy Using Ab Initio Molecular Dynamics
- Water orientation and hydrogen-bond structure at the fluorite/water interface
- Understanding the Microscopic Origin of Gold Nanoparticle Anisotropic Growth from Molecular Dynamics Simulations
- The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder
- Optical properties of molecules in solution via hybrid TDDFT/MM simulations
- Redox free energies and one-electron energy levels in density functional theory based ab initio molecular dynamics
- Reaction mechanism of caspases: Insights from QM/MM Car-Parrinello simulations
- Anisotropic carrier diffusion in single MAPbI3 grains correlates to their twin domains
- Slide electrification: charging of surfaces by moving water drops
- Quantitative comparison of closed-loop and dual harmonic Kelvin probe force microscopy techniques
- The Interplay of Contact Layers: How the Electron Transport Layer Influences Interfacial Recombination and Hole Extraction in Perovskite Solar Cells
- Adaptive Wetting-Adaptation in Wetting
- Know your full potential: Quantitative Kelvin probe force microscopy on nanoscale electrical devices
- Removal of Surface Oxygen Vacancies Increases Conductance Through TiO2 Thin Films for Perovskite Solar Cells
- Orientation of Ferroelectric Domains and Disappearance upon Heating Methylammonium Lead Triiodide Perovskite from Tetragonal to Cubic Phase
- The application of atomic force microscopy in mineral flotation
- Ion Specificity on Electric Energy Generated by Flowing Water Droplets
- Preparing DNA-mimicking multi-line nanocaterpillars via in situ nanoparticlisation of fully conjugated polymers
- Enhanced power conversion efficiency of inverted organic solar cells by using solution processed Sn-doped TiO2 as an electron transport layer
- Electrical characterization of organic solar cell materials based on scanning force microscopy
- Electrical tip-sample contact in scanning conductive torsion mode
- Photoinduced Degradation Studies of Organic Solar Cell Materials Using Kelvin Probe Force and Conductive Scanning Force Microscopy
- Investigating morphology and electronic properties of self-assembled hybrid systems for solar cells
- Thermodynamics of nanosecond nanobubble formation at laser-excited metal nanoparticles
- Electrodeposition of ZnO nanorods on opaline replica as hierarchically structured systems
- Integrated blocking layers for hybrid organic solar cells
- How the formation of interfacial charge causes hysteresis in perovskite solar cells
- Detaching Microparticles from a Liquid Surface
- Evidence of Tailoring the Interfacial Chemical Composition in Normal Structure Hybrid Organohalide Perovskites by a Self-Assembled Monolayer
- Ferroelastic Fingerprints in Methylammonium Lead Iodide Perovskite
- Dual harmonic Kelvin probe force microscopy at the graphene-liquid interface
- Sum Frequency Generation Spectra from Velocity-Velocity Correlation Functions
- Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations PREFACE
- Oxide/water interfaces: how the surface chemistry modifies interfacial water properties
- Acidity constants from DFT-based molecular dynamics simulations
- Atypical titration curves for GaAl12 Keggin-ions explained by a joint experimental and simulation approach
- The Fluorite/Water Interfaces: Structure and Spectroscopy from First Principles Simulations
- The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode
- Absolute pKa Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation
- Acidity constants from vertical energy gaps: density functional theory based molecular dynamics implementation
- Heterogeneous Interactions between Gas-Phase Pyruvic Acid and Hydroxylated Silica Surfaces: A Combined Experimental and Theoretical Study
- First principles study of alkali-tyrosine complexes: Alkali solvation and redox properties
- Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid-Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations
- From Gold Nanoseeds to Nanorods: The Microscopic Origin of the Anisotropic Growth
- Increased Acid Dissociation at the Quartz/Water Interface
- Understanding the Acidic Properties of the Amorphous Hydroxylated Silica Surface
- The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties
- Nanophase Segregation of Self-Assembled Monolayers on Gold Nanoparticles
- Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations Preface
- Structure-based thermodynamic analysis of caspases reveals key residues for dimerization and activity
- From solvent fluctuations to quantitative redox properties of quinones in methanol and acetonitrile
- Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics
- The role of halide ions in the anisotropic growth of gold nanoparticles: a microscopic, atomistic perspective
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