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TIB-Lesesaalbestand
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Initial water adsorption on hematite (α-Fe2O3) (0001): A DFT + U study
American Institute of Physics | 2018|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 -
Osmotic and diffusio-osmotic flow generation at high solute concentration. I. Mechanical approaches
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Labyrinthine water flow across multilayer graphene-based membranes: Molecular dynamics versus continuum predictions
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Liquid exfoliation of multilayer graphene in sheared solvents: A molecular dynamics investigation
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Phase reference in phase-sensitive sum-frequency vibrational spectroscopy
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Direct and trapping-mediated pathways to dissociative chemisorption: CH4 dissociation on Ir(111) with step defects
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Multiscale analysis of the effect of surface charge pattern on a nanopore’s rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Novel tilt-curvature coupling in lipid membranes
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
D-carbon: Ab initio study of a novel carbon allotrope
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Effect of surface free energies on the heterogeneous nucleation of water droplet: A molecular dynamics simulation approach
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Effects of intrinsic and atmospherically induced defects in narrow bandgap (FASnI3)x(MAPbI3)1x perovskite films and solar cells
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries
NationallizenzAmerican Institute of Physics | 2011|Schlagwörter: Surfaces, Interfaces, and Materials -
Trap state mediated triplet energy transfer from CdSe quantum dots to molecular acceptors
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Picosecond electron trapping limits the emissivity of CsPbCl3 perovskite nanocrystals
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Optimization and validation of a deep learning CuZr atomistic potential: Robust applications for crystalline and amorphous phases with near-DFT accuracy
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Novel rubidium poly-nitrogen materials at high pressure
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Machine-learning accelerated geometry optimization in molecular simulation
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Electric field-induced gas dissolving in aqueous solutions
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Enhanced ordering of water at hydrophobic surfaces
American Institute of Physics | 2014|Schlagwörter: Surfaces, Interfaces, and Materials -
Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
A density functional theory study of the adsorption behaviour of CO2 on Cu2O surfaces
Freier ZugriffAmerican Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Size and temperature dependence of photoluminescence of hybrid perovskite nanocrystals
American Institute of Physics | 2019|Schlagwörter: Surfaces; Interfaces; and Materials -
Adsorption of water, methanol, and their mixtures in slit graphite pores
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Thermodynamics of two-dimensional Yukawa systems across coupling regimes
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Quantum tunneling of thermal protons through pristine graphene
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Charge transfer from Eu2+ to trivalent lanthanide co-dopants: Systematic behavior across the series
American Institute of Physics | 2021|Schlagwörter: Materials, Surfaces, and Interfaces -
Nature of the cubic to tetragonal phase transition in methylammonium lead iodide perovskite
American Institute of Physics | 2016|Schlagwörter: Surfaces, Interfaces, and Materials -
Ionic liquid ultrathin films at the surface of Cu(100) and Au(111)
American Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
Ambient pressure x-ray photoelectron spectroscopy study of water formation and adsorption under two-dimensional silica and aluminosilicate layers on Pd(111)
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics
Freier ZugriffAmerican Institute of Physics | 2017|Schlagwörter: Surfaces, Interfaces, and Materials -
On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations
Freier ZugriffAmerican Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Interfacial solvation can explain attraction between like-charged objects in aqueous solution
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Rubber friction: The contribution from the area of real contact
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials -
Thermal conductivity of penta-graphene from molecular dynamics study
American Institute of Physics | 2015|Schlagwörter: Surfaces, Interfaces, and Materials -
Ultrafast carrier and phonon dynamics in few-layer 2H–MoTe2
American Institute of Physics | 2019|Schlagwörter: Surfaces; Interfaces; and Materials -
Perovskite-sensitized upconversion bingo: Stoichiometry, composition, solvent, or temperature?
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Heterojunction of CuO nanoclusters with TiO2 for photo-oxidation of organic compounds and for hydrogen production
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Random surface statistical associating fluid theory: Adsorption of n-alkanes on rough surface
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
The structure of water–DMF binary mixtures probed by linear and nonlinear vibrational spectroscopy
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Ti-Ti bond at oxygen vacancy inducing the deep defect level in anatase TiO2 (101) surface
American Institute of Physics | 2019|Schlagwörter: Surfaces, Interfaces, and Materials -
Water diffusion in rough carbon nanotubes
American Institute of Physics | 2020|Schlagwörter: Surfaces, Interfaces, and Materials -
Glycine formation in CO2:CH4:NH3 ices induced by 0-70 eV electrons
American Institute of Physics | 2018|Schlagwörter: Surfaces, Interfaces, and Materials
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