6533b829fe1ef96bd128a546

RESEARCH PRODUCT

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

Hannu HäkkinenXi Chen

subject

chemistry.chemical_compoundGeneral EnergyBenzotriazoleta114ChemistryInorganic chemistrychemistry.chemical_elementDensity functional theoryPhysical and Theoretical ChemistryCopperSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIon

description

Binding of benzotriazolate anion (BTA) to copper complexes and Cu(111) surface was investigated by density functional theory calculations. [BTACuBTA]1– was found to be a very stable complex that BT...

https://doi.org/10.1021/jp3055894