Hydrogen adsorption and desorption from Cu(111) and Cu(211)

Physical Chemistry Chemical Physics : PCCP
Kun CaoLudo B F Juurlink

Abstract

We present a combined experimental-theoretical study on structural and coverage dependences of the adsorption and desorption of molecular hydrogen on atomically flat Cu(111) and highly stepped Cu(211) surfaces. For molecules with identical incident energy from supersonic molecular beams, we find a reduced dissociative sticking probability for the stepped surface compared to Cu(111). DFT calculations of activation barriers to dissociation for the clean and partially precovered surfaces, as well as quantitative analysis of TPD spectra, support that the A-type step of the (211) surface causes an upward shift in activation barriers to dissociation and lowering of the desorption barrier. The new data allow us to determine low sticking probabilities at conditions where King and Wells measurements fail to determine the reactivity. They are also fully consistent with the unexpected observation that monoatomic steps on a surface lower the reactivity toward the dissociation of a diatomic molecule.

References

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Citations

Feb 21, 2021·The Journal of Chemical Physics·B Smits, M F Somers
Jun 5, 2021·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Egidius W F Smeets, Geert-Jan Kroes
Feb 23, 2019·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Elham Nour GhassemiGernot Füchsel
Oct 1, 2019·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Egidius W F SmeetsGeert-Jan Kroes

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Methods Mentioned

BETA
electron diffraction
electron spectroscopy

Software Mentioned

Vienna ab initio simulation package ( VASP )

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