"Promotion Effect of Methane Activation on Cu(111) by the Surface-Active Oxygen Species: A Combination of DFT and ReaxFF Study"

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Inspired by the recent experiment results that the methane can be activated on a copper surface in the present of molecular oxygen ( J. Phys. Chem. B., 2018, 122, 855−863,… Click to show full abstract

Inspired by the recent experiment results that the methane can be activated on a copper surface in the present of molecular oxygen ( J. Phys. Chem. B., 2018, 122, 855−863, DOI: 10.1021/acs.jpcb.7b0...

Keywords: oxygen; effect methane; surface; methane; methane activation; promotion effect

Journal Title: Journal of Physical Chemistry C
Year Published: 2018

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