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A DFT study on dimethyl oxalate synthesis over PdML/Ni(1 1 1) and PdML/Co(1 1 1) surfaces

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1 Published in 2019 at "Applied Surface Science"

DOI: 10.1016/j.apsusc.2018.09.152

Abstract: Abstract PdML/Ni(1 1 1) and PdML/Co(1 1 1) surfaces were built via Pd atoms substituting the upper one layer atoms of Ni(1 1 1) and Co(1 1 1) surfaces, and have been discussed toward dimethyl oxalate (DMO) synthesis using density functional theory (DFT)… read more here.

Keywords: dimethyl oxalate; pdml pdml; synthesis; dft study ... See more keywords