Browsing Publikationsnachweise by Funding "THEOFUN / Theoretical studies on the functionalisation of metal surfaces with organic and biological complexes under electrochemical conditions / EC / FP7 / 259608"
Now showing items 1-20 of 21
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Ab initio molecular dynamics study of lithium diffusion in tetragonal Li7La3Zr2O12
(2017)Wissenschaftlicher Artikel
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Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field
(2015)Wissenschaftlicher Artikel
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Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis
(2014)Wissenschaftlicher Artikel
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Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-Based Catalysts
(2014)Wissenschaftlicher Artikel
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Development of a ReaxFF potential for Pt-O systems describing the energetics and dynamics of Pt-oxide formation
(2014)Wissenschaftlicher Artikel
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Dysprosium electrodeposition from a hexaalkylguanidinium-based ionic liquid
(2016)Wissenschaftlicher Artikel
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Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures
(2015)Wissenschaftlicher Artikel
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Full Free Energy Diagram of an Electrocatalytic Reaction over a Single-Crystalline Model Electrode
(2017)Wissenschaftlicher Artikel
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Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode
(2016)Wissenschaftlicher Artikel
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Function Calculation: A Simple Way to Predict the Geometry Parameters of Self-Organized Titania Nanotube Arrays
(2017)Wissenschaftlicher Artikel
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Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures
(2017)Wissenschaftlicher Artikel
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Ligand Effects and Their Impact on Electrocatalytic Processes Exemplified with the Oxygen Evolution Reaction (OER) on RuO2(110)
(2015)Wissenschaftlicher Artikel
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On the platinum-oxide formation under gas-phase and electrochemical conditions
(2017)Wissenschaftlicher Artikel
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Repulsive interactions induced by specific adsorption: Anomalous step diffusivity and inadequacy of nearest-neighbor Ising model (part I experimental)
(2016)Wissenschaftlicher Artikel
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Repulsive Interactions Induced by Specific Adsorption: Anomalous Step Diffusivity and Inadequacy of Nearest-Neighbor Ising Model (Part II Theory)
(2017)Wissenschaftlicher Artikel
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Step Dipole Moment and Step Line Tension on Au(100) in Aqueous KBr electrolyte
(2015)Wissenschaftlicher Artikel
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Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)
(2015)Wissenschaftlicher Artikel