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Published in 2022 at "Royal Society Open Science"
DOI: 10.1098/rsos.211516
Abstract: We present a comparative density functional theory investigation of the furfural (Ff) molecule on the low index Ni, Pd and Pt surfaces to understand its geometrical and electronic properties to gain mechanistic insights into the…
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Keywords:
molecule low;
index surfaces;
molecule;
low index ... See more keywords