Ab initio modeling of the bonding of benzotriazole corrosion inhibitor to reduced and oxidized copper surfaces

Surface phases of Cu2O(111) under CO2 electrochemical reduction conditions

(2014) Xiaowa Nie et al.   CATALYSIS COMMUNICATIONS

Passivation of Copper: Benzotriazole Films on Cu(111)

(2014) Federico Grillo et al.   Journal of Physical Chemistry C

The Identification and Characterization of Organic Corrosion Inhibitors: Correlation of a Computational Model with Experimental Results

(2014) S. K. Mondal et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

The relation between adsorption bonding and corrosion inhibition of azole molecules on copper

(2013) Nataša Kovačević et al.   CORROSION SCIENCE

The Effect of Surface Geometry of Copper on Dehydrogenation of Benzotriazole. Part II

(2013) Anton Kokalj et al.   Journal of Physical Chemistry C

The Effect of Surface Geometry of Copper on Adsorption of Benzotriazole and Cl. Part I

(2013) Sebastijan Peljhan et al.   Journal of Physical Chemistry C

Initial stages of benzotriazole adsorption on the Cu(111) surface

(2013) Federico Grillo et al.   Nanoscale

Passive films at the nanoscale

(2012) Vincent Maurice et al.   ELECTROCHIMICA ACTA

Divide and Protect: Passivating Cu(111) by Cu-(benzotriazole)2

(2012) Xi Chen et al.   Journal of Physical Chemistry C

Chemistry of the interaction between azole type corrosion inhibitor molecules and metal surfaces

(2012) Nataša Kovačević et al.   MATERIALS CHEMISTRY AND PHYSICS

On the HSAB based estimate of charge transfer between adsorbates and metal surfaces

(2011) Anton Kokalj   CHEMICAL PHYSICS

DFT Study of Interaction of Azoles with Cu(111) and Al(111) Surfaces: Role of Azole Nitrogen Atoms and Dipole–Dipole Interactions

(2011) Nataša Kovačević et al.   Journal of Physical Chemistry C

DFT study of gas-phase adsorption of benzotriazole on Cu(111), Cu(100), Cu(110), and low coordinated defects thereon

(2011) Sebastijan Peljhan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrostatic model for treating long-range lateral interactions between polar molecules adsorbed on metal surfaces

(2011) Anton Kokalj   PHYSICAL REVIEW B

Inhibition of copper corrosion by 1,2,3-benzotriazole: A review

(2010) Matjaž Finšgar et al.   CORROSION SCIENCE

What Determines the Inhibition Effectiveness of ATA, BTAH, and BTAOH Corrosion Inhibitors on Copper?

(2010) Anton Kokalj et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface Analysis of 1-Hydroxybenzotriazole and Benzotriazole Adsorbed on Cu by X-Ray Photoelectron Spectroscopy

(2010) Matjaž Finšgar et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Density Functional Theory Study of ATA, BTAH, and BTAOH as Copper Corrosion Inhibitors: Adsorption onto Cu(111) from Gas Phase

(2010) Anton Kokalj et al.   LANGMUIR

Adsorption of Chlorine on Cu(111): A Density-Functional Theory Study

(2009) Sebastijan Peljhan et al.   Journal of Physical Chemistry C

First principles investigation on the stabilization mechanisms of the polar copper terminated Cu2O(111) surface

(2009) Mazharul M. Islam et al.   SURFACE SCIENCE

A comparative electrochemical and quantum chemical calculation study of BTAH and BTAOH as copper corrosion inhibitors in near neutral chloride solution

(2008) Matjaž Finšgar et al.   ELECTROCHIMICA ACTA

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Atomic structure of Cu2O(111)

(2008) Anneli Önsten et al.   SURFACE SCIENCE