Co-Adsorption of H2O, OH, and Cl on Aluminum and Intermetallic Surfaces and Its Effects on the Work Function Studied by DFT Calculations

First-principles surface interaction studies of aluminum-copper and aluminum-copper-magnesium secondary phases in aluminum alloys

(2018) Thiago H. da Silva et al.   APPLIED SURFACE SCIENCE

Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences

(2018) Laurence Marks   CORROSION

Volta Potential Evolution of Intermetallics in Aluminum Alloy Microstructure Under Thin Aqueous Adlayers: A combined DFT and Experimental Study

(2018) C. Örnek et al.   TOPICS IN CATALYSIS

Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences

(2018) Laurence Marks   CORROSION

Intermetallic Phases in Aluminum Alloys and Their Roles in Localized Corrosion

(2018) Yakun Zhu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

First-Principle Calculation of Volta Potential of Intermetallic Particles in Aluminum Alloys and Practical Implications

(2017) Ying Jin et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Water at Interfaces

(2016) Olle Björneholm et al.   CHEMICAL REVIEWS

Adsorption of bromine on Mg(0 0 0 1) surface from first-principles calculations

(2016) Wen-Liu Zhou et al.   COMPUTATIONAL MATERIALS SCIENCE

Hydrogen and halide co-adsorption on Pt(111) in an electrochemical environment: a computational perspective

(2016) Florian Gossenberger et al.   ELECTROCHIMICA ACTA

Trends and Regularities for Halogen Adsorption on Various Metal Surfaces

(2016) Quanxi Zhu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Adsorption and dissociation of H2O on Al(111) surface by density functional theory calculation

(2015) F.Y. Guo et al.   APPLIED SURFACE SCIENCE

Density-functional theory investigation of Al pitting corrosion in electrolyte containing chloride ions

(2015) Min Liu et al.   APPLIED SURFACE SCIENCE

Electrochemical specific adsorption of halides on Cu 111 , 100 , and 211 : A Density Functional Theory study

(2015) Ian T. McCrum et al.   ELECTROCHIMICA ACTA

Local order of liquid water at metallic electrode surfaces

(2015) Luana S. Pedroza et al.   JOURNAL OF CHEMICAL PHYSICS

Dealloying of Al2Cu, Al7Cu2Fe, and Al2CuMg intermetallic phases to form nanoparticulate copper films

(2014) S. Lebouil et al.   MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION

Change of the work function of platinum electrodes induced by halide adsorption

(2014) Florian Gossenberger et al.   Beilstein Journal of Nanotechnology

Establishing a correlation between interfacial microstructures and corrosion initiation sites in Al/Cu joints by SEM–EDS and AFM–SKPFM

(2013) M. Sarvghad-Moghaddam et al.   CORROSION SCIENCE

Cu(111) in chloride containing acidic electrolytes: Coadsorption of an oxygenated species

(2013) Y. Gründer et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Effects of Surface Treatment and Carboxylic Acid and Anhydride Molecular Dipole Moments on the Volta Potential Values of Zinc Surfaces

(2013) P. Taheri et al.   Journal of Physical Chemistry C

Periodic Density-Functional Calculations on Work-Function Change Induced by Adsorption of Halogens on Cu(111)

(2013) Tanglaw Roman et al.   PHYSICAL REVIEW LETTERS

Water adsorption behavior on metal surfaces and its influence on surface potential studied by in situ SPM

(2012) L.Q. Guo et al.   APPLIED SURFACE SCIENCE

Influence of water on the work function of certain metals

(2012) Francesco Musumeci et al.   CHEMICAL PHYSICS LETTERS

Comparative Study of the Passivation of Al(111) by Molecular Oxygen and Water Vapor

(2012) Na Cai et al.   Journal of Physical Chemistry C

Hybrid molecular dynamics and first-principles study on the work function of a Pt(111) electrode immersed in aqueous solution at room temperature

(2012) Sai Duan et al.   PHYSICAL REVIEW B

DFT study on the interaction between monomeric aluminium and chloride ion in aqueous solution

(2011) Xiaoyan Jin et al.   DALTON TRANSACTIONS

Dependence of electron work function of Al-Mg alloys on surface structures and relative humidity

(2011) Mingshan Xue et al.   PHYSICA B-CONDENSED MATTER

Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(111) surface

(2010) A. Bouzoubaa et al.   CORROSION SCIENCE

Ab initio study of the interaction of chlorides with defect-free hydroxylated NiO surfaces

(2009) Asmae Bouzoubaa et al.   CORROSION SCIENCE

Properties of metal–water interfaces studied from first principles

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

Localized corrosion (pitting): A model of passivity breakdown including the role of the oxide layer nanostructure

(2008) P. Marcus et al.   CORROSION SCIENCE

Atomic Scale Insights on Chlorinated γ-Alumina Surfaces

(2008) Mathieu Digne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects

(2008) Sally A. Wasileski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of water on copper and noble metal (110) surfaces

(2008) Jun Ren et al.   PHYSICAL REVIEW B