A further comment on “Corrosion of copper in distilled water without O2 and the detection of produced hydrogen”

Hedin, A.; Johansson, Adam Johannes; Werme, Lars

doi:10.1016/j.corsci.2016.03.016

Cited by 3 publications

(2 citation statements)

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“…These pressures do, however, surpass the estimated equilibrium pressures by six orders of magnitude. [1][2][3][4] By changing the p H 2 to 1 mbar, and assuming wet conditions (i.e. 55 M H 2 O), we find that the 1/4* dissociation state at 0.75 ML total coverage is now the most stable, 0.15 eV more stable than the 2/4 ML OH state.…”

Section: Pccp Papermentioning

confidence: 82%

“…For instance, the corrosion resistance of copper in anoxic environments has lately been debated, putting the established view of copper under question. [1][2][3][4] This gap of knowledge ultimately stems from the fact that the atomistic details of the interplay between water and copper, and water and copper (hydr)oxides, are not yet perfectly understood. In addition, since copper in most applications is exposed to a humid environment, and since copper under ambient conditions typically is covered by a thin oxide film (mainly in the form of cuprite, 5 Cu 2 O), it is of fundamental interest to gain deeper knowledge about the processes taking place at the Cu 2 O-H 2 O interface.…”

Section: Introductionmentioning

confidence: 99%

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Reactivity at the Cu₂O(100):Cu–H₂O interface: a combined DFT and PES study

Stenlid

Soldemo

Johansson

et al. 2016

Phys. Chem. Chem. Phys.

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The water-cuprite interface plays an important role in dictating surface related properties. This not only applies to the oxide, but also to metallic copper, which is covered by an oxide film under typical operational conditions. In order to extend the currently scarce knowledge of the details of the water-oxide interplay, water interactions and reactions on a common CuO(100):Cu surface have been studied using high-resolution photoelectron spectroscopy (PES) as well as Hubbard U and dispersion corrected density functional theory (PBE-D3+U) calculations up to a bilayer water coverage. The PBE-D3+U results are compared with PBE, PBE-D3 and hybrid HSE06-D3 calculation results. Both computational and experimental results support a thermodynamically favored, and HO coverage independent, surface OH coverage of 0.25-0.5 ML, which is larger than the previously reported value. The computations indicate that the results are consistent also for ambient temperatures under wet/humid and oxygen lean conditions. In addition, both DFT and PES results indicate that the initial (3,0;1,1) surface reconstruction is lifted upon water adsorption to form an unreconstructed (1 × 1) CuO(100) structure.

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Section: Pccp Papermentioning

confidence: 82%