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

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

Is the analysis of molecular electronic structure of corrosion inhibitors sufficient to predict the trend of their inhibition performance

(2010) Anton Kokalj   ELECTROCHIMICA ACTA

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

Density functional study of oxygen on Cu(100) and Cu(110) surfaces

(2010) X. Duan et al.   PHYSICAL REVIEW B

Ethene stabilization on Cu(111) by surface roughness

(2009) Olaf Skibbe et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

CO∕Pt(111): GGA density functional study of site preference for adsorption

(2008) M. Alaei et al.   PHYSICAL REVIEW B

Adsorption of chlorine on Ag(111): No subsurface Cl at low coverage

(2008) Paola Gava et al.   PHYSICAL REVIEW B