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Published in 2022 at "ChemSusChem"
DOI: 10.1002/cssc.202200191
Abstract: Defects in transition metal dichalcogenides (TMDs) can serve as active sites in catalytic reactions. In this work, by means of first-principles calculations, the catalytic activities of WX 2 (X = S, Se, Te) monolayers in…
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Keywords:
reduction nh3;
wx2 monolayers;
electrocatalytic reduction;
defective wx2 ... See more keywords
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Published in 2019 at "Physica B: Condensed Matter"
DOI: 10.1016/j.physb.2019.05.021
Abstract: Abstract The effects of biaxial strain on the electronic structures and optical properties of the two-dimensional WX2 (X = S, Se, and Te) monolayers are investigated by first-principle calculations. The WX2 monolayers are direct band gap semiconductors.…
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Keywords:
optical electronic;
properties dichalcogenides;
electronic properties;
wx2 monolayers ... See more keywords