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Published in 2017 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.03.007
Abstract: Abstract Silicene, the single layer of silicon atoms arranged in a honeycomb lattice, has been synthesized in recent experiments and attracted significant attentions. Silicene is promising in future nanoelectronic devices due to its outstanding electronic…
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Keywords:
silicene 111;
coverage effects;
111 surfaces;
temperature coverage ... See more keywords
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Published in 2019 at "ACS Catalysis"
DOI: 10.1021/acscatal.9b01967
Abstract: The active site of CO dissociation on a cobalt nanoparticle, relevant to the Fischer–Tropsch reaction, can be computed directly using density functional theory. We investigate how the activation barrier for direct CO dissociation depends on…
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Keywords:
cobalt;
coverage;
effects dissociation;
coverage effects ... See more keywords