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Published in 2021 at "Catalysis Communications"
DOI: 10.1016/j.catcom.2020.106255
Abstract: Abstract The composition-dependent adsorption and catalytic properties of Pd Ag bimetallic surfaces for the partial hydrogenation of 1,3-butadiene to 1-butene were studied by density functional theory. With the increase of Ag content, the activity and…
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Keywords:
hydrogenation;
butadiene butene;
hydrogenation butadiene;
composition dependent ... See more keywords
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Published in 2018 at "Chemical Science"
DOI: 10.1039/c8sc00776d
Abstract: The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated using first principles for an emerging single-atom Pd catalyst anchored on graphene.
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Keywords:
single atom;
selective hydrogenation;
anchored graphene;
hydrogenation butadiene ... See more keywords
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Published in 2022 at "Nanoscale"
DOI: 10.1039/d2nr02300h
Abstract: Tuning the coordination neighbors of the metal center is emerging as an elegant approach to manipulating the performance of supported single-atom catalysts in heterogeneous catalysis. Herein, atomically dispersed Pt species with different coordination neighbors hosted…
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Keywords:
electron microscopy;
hydrogenation;
microscopy;
hydrogenation butadiene ... See more keywords