A first-principles analysis of the charge transfer in magnesium corrosion

The Basics of Electronic Structure Theory for Periodic Systems

(2019) Peter Kratzer et al.   Frontiers in Chemistry

Density Functional Theory: An Essential Partner in the Integrated Computational Materials Engineering Approach to Corrosion

(2019) Huibin Ke et al.   CORROSION

Data Science Based Mg Corrosion Engineering

(2019) Tim Würger et al.   Frontiers in Materials

The effect of small-molecule bio-relevant organic components at low concentration on the corrosion of commercially pure Mg and Mg-0.8Ca alloy: An overall perspective

(2019) Di Mei et al.   CORROSION SCIENCE

Understanding the enhanced rates of hydrogen evolution on dissolving magnesium

(2019) J.A. Yuwono et al.   ELECTROCHEMISTRY COMMUNICATIONS

In silico Screening of Modulators of Magnesium Dissolution

(2019) Christian Feiler et al.   CORROSION SCIENCE

First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion

(2018) Sudarsan Surendralal et al.   PHYSICAL REVIEW LETTERS

Performance boost for primary magnesium cells using iron complexing agents as electrolyte additives

(2018) Daniel Höche et al.   Scientific Reports

The Reduction of Dissolved Oxygen During Magnesium Corrosion

(2018) Eduardo L. Silva et al.   ChemistryOpen

Aqueous electrochemistry of the magnesium surface: Thermodynamic and kinetic profiles

(2018) Jodie A. Yuwono et al.   CORROSION SCIENCE

Van der Waals Interaction Really Matters: Energetics of Benzoic Acid on TiO2 Rutile Surfaces

(2017) Wolfgang Heckel et al.   Journal of Physical Chemistry C

Fundamentals and advances in magnesium alloy corrosion

(2017) M. Esmaily et al.   PROGRESS IN MATERIALS SCIENCE

A new concept for corrosion inhibition of magnesium: Suppression of iron re-deposition

(2016) S.V. Lamaka et al.   ELECTROCHEMISTRY COMMUNICATIONS

Modeling reaction pathways for hydrogen evolution and water dissociation on magnesium

(2016) Kristen S. Williams et al.   ELECTROCHIMICA ACTA

Electrochemical Stability of Magnesium Surfaces in an Aqueous Environment

(2016) Jodie A. Yuwono et al.   Journal of Physical Chemistry C

A First-Principles Surface Reaction Kinetic Model for Hydrogen Evolution under Cathodic and Anodic Conditions on Magnesium

(2016) Christopher D. Taylor   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Climate and energy challenges for materials science

(2016) Dolf Gielen et al.   NATURE MATERIALS

The effect of iron re-deposition on the corrosion of impurity-containing magnesium

(2016) Daniel Höche et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Inhibitor encapsulated, self-healable and cytocompatible chitosan multilayer coating on biodegradable Mg alloy: a pH-responsive design

(2016) Zhaojun Jia et al.   Journal of Materials Chemistry B

Review of Recent Developments in the Field of Magnesium Corrosion

(2015) Andrej Atrens et al.   ADVANCED ENGINEERING MATERIALS

First Principles Modeling of Water Dissociation on Mg(0001) and Development of a Mg Surface Pourbaix Diagram

(2015) Kristen S. Williams et al.   CORROSION

Effect of impurities on the enhanced catalytic activity for hydrogen evolution in high purity magnesium

(2015) S. Fajardo et al.   ELECTROCHIMICA ACTA

Advanced lightweight materials and manufacturing processes for automotive applications

(2015) Alan I. Taub et al.   MRS BULLETIN

First Principles Modeling of Water Dissociation on Mg(0001) and Development of a Mg Surface Pourbaix Diagram

(2015) Kristen S. Williams et al.   CORROSION

Evidence for enhanced catalytic activity of magnesium arising from anodic dissolution

(2014) N. Birbilis et al.   ELECTROCHIMICA ACTA

Evolution of hydrogen at dissolving magnesium surfaces

(2013) G.S. Frankel et al.   CORROSION SCIENCE

The role of van der Waals forces in water adsorption on metals

(2013) Javier Carrasco et al.   JOURNAL OF CHEMICAL PHYSICS

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Properties of metal–water interfaces studied from first principles

(2009) Sebastian Schnur et al.   NEW JOURNAL OF PHYSICS

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Water adsorption and the wetting of metal surfaces

(2009) A. Hodgson et al.   SURFACE SCIENCE REPORTS

Effects of Carbon and/or Alkaline Earth Elements on Grain Refinement and Tensile Strength of AZ31 Alloy

(2008) Jun Du et al.   MATERIALS TRANSACTIONS