Reversible vs Standard Hydrogen Electrode Scale in Interfacial Electrochemistry from a Theoretician’s Atomistic Point of View von Groß, Axel

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Ab Initio Simulations of Water/Metal Interfaces von Groß, Axel, Sakong, Sung

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Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions von Sakong, Sung, Groß, Axel

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Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics von Magnussen, Olaf M, Groß, Axel

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The electric double layer at metal-water interfaces revisited based on a charge polarization scheme von Sakong, Sung, Groß, Axel

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Microscopic properties of lithium, sodium, and magnesium battery anode materials related to possible dendrite growth von Jäckle, Markus, Groß, Axel

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Grand-canonical approaches to understand structures and processes at electrochemical interfaces from an atomistic perspective von Groß, Axel

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The Importance of the Electrochemical Environment in the Electro-Oxidation of Methanol on Pt(111) von Sakong, Sung, Groß, Axel

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Self-diffusion barriers: possible descriptors for dendrite growth in batteries? von Jäckle, Markus, Helmbrecht, Katharina, Smits, Malte, Stottmeister, Daniel, Groß, Axel

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Dispersive interactions in water bilayers at metallic surfaces: A comparison of the PBE and RPBE functional including semiempirical dispersion corrections von Tonigold, Katrin, Groß, Axel

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Stability of Magnesium Binary and Ternary Compounds for Batteries Determined from First Principles von Sotoudeh, Mohsen, Groß, Axel

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Ab initio molecular dynamics simulations of the O2/Pt(111) interaction von Groß, Axel

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Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects von Tonigold, Katrin, Gross, Axel

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Challenges for ab initio molecular dynamics simulations of electrochemical interfaces von Groß, Axel

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Properties of metal–water interfaces studied from first principles von Schnur, Sebastian, Groß, Axel

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Modelling the electric double layer at electrode/electrolyte interfaces von Groß, Axel, Sakong, Sung

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Periodic density-functional calculations on work-function change induced by adsorption of halogens on Cu(111) von Roman, Tanglaw, Groß, Axel

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Structure of water layers on hydrogen-covered Pt electrodes von Roman, Tanglaw, Groß, Axel

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Strain and coordination effects in the adsorption properties of early transition metals: A density-functional theory study von Schnur, Sebastian, Groß, Axel

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Solution of the structure of the high-coverage CO layer on the Ru(0001) surface—A combined study by density functional theory and scanning tunneling microscopy von Illner, Hannah, Sakong, Sung, Groß, Axel, Wintterlin, Joost

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