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TIB-Lesesaalbestand
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Hydration mediated interfacial transitions on mixed hydrophobic/hydrophilic nanodroplet interfaces
Freier ZugriffAmerican Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
A dissolution-precipitation mechanism is at the origin of concrete creep in moist environments
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Structural variation of anatase (101) under near infrared irradiations monitored by sum-frequency surface phonon spectroscopy
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Superconductivity of monolayer Mo2C: The key role of functional groups
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Interference between Coulombic and CT-mediated couplings in molecular aggregates: H- to J-aggregate transformation in perylene-based π-stacks
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Optoelectronics and defect levels in hydroxyapatite by first-principles
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Ag2ZnSn(S,Se)4: A highly promising absorber for thin film photovoltaics
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
A genetic algorithm for first principles global structure optimization of supported nano structures
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
General theory of charge regulation and surface differential capacitance
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Molecular dynamics investigation of surface roughness scale effect on interfacial thermal conductance at solid-liquid interfaces
Freier ZugriffAmerican Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
The interfacial zone in thin polymer films and around nanoparticles in polymer nanocomposites
American Institute of Physics | 2019|Schlagwörter: Surfaces; Interfaces; and Materials -
Activated quantum diffusion in a periodic potential above the crossover temperature
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Mechanism of charge transfer and its impacts on Fermi-level pinning for gas molecules adsorbed on monolayer WS2
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Vibronic exciton theory of singlet fission. II. Two-dimensional spectroscopic detection of the correlated triplet pair state
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Long-lived charge separation in two-dimensional ligand-perovskite heterostructures
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Oxygen activation on the interface between Pt nanoparticles and mesoporous defective TiO2 during CO oxidation
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Going beyond the standard line tension: Size-dependent contact angles of water nanodroplets
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Revealing the role of thiocyanate anion in layered hybrid halide perovskite (CH3NH3)2Pb(SCN)2I2
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
A multi-technique study of CO2 adsorption on Fe3O4 magnetite
Freier ZugriffAmerican Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Optical microcavities enhance the exciton coherence length and eliminate vibronic coupling in J-aggregates
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Wetting at the nanoscale: A molecular dynamics study
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Enhancement of reaction rate in small-sized droplets: A combined analytical and simulation study
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Active sites of ligand-protected Au25 nanoparticle catalysts for CO2 electroreduction to CO
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Water flow in carbon nanotubes: The effect of tube flexibility and thermostat
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Interpretation of Young’s equation for a liquid droplet on a flat and smooth solid surface: Mechanical and thermodynamic routes with a simple Lennard-Jones liquid
Freier ZugriffAmerican Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Cohesion energetics of carbon allotropes: Quantum Monte Carlo study
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Theory of adhesion: Role of surface roughness
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Rubber friction on road surfaces: Experiment and theory for low sliding speeds
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Differential capacitance of the electric double layer: The interplay between ion finite size and dielectric decrement
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Interaction between water and carbon nanostructures: How good are current density functional approximations?
American Institute of Physics | 2019|Schlagwörter: Surfaces; Interfaces; and Materials -
Microscopic theory of singlet exciton fission. III. Crystalline pentacene
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Contact angles from Young’s equation in molecular dynamics simulations
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Quantum dynamics origin of high photocatalytic activity of mixed-phase anatase/rutile TiO2
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Evaluation of molecular dynamics simulation methods for ionic liquid electric double layers
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Testing several recent van der Waals density functionals for layered structures
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Interfacial properties of hydrocarbon/water systems predicted by molecular dynamic simulations
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
A thermodynamic model of contact angle hysteresis
Freier ZugriffAmerican Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Molecular simulation of steady-state evaporation and condensation in the presence of a non-condensable gas
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Double layer of platinum electrodes: Non-monotonic surface charging phenomena and negative double layer capacitance
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials
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