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Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-07178-9
Abstract: We provide a new insight that the sulphur-depleted MoS2 surface can store hydrogen gas at room temperature. Our findings reveal that the sulphur-vacancy defects preferentially serve as active sites for both hydrogen chemisorption and physisorption.…
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Keywords:
mos2 surface;
physisorption;
sulphur vacancy;
hydrogen ... See more keywords
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2
Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms231911199
Abstract: Using structural relaxation calculations and first-principles molecular dynamics (FPMD), we performed numerical simulations to explore the interaction of a 2D MoS2 surface and a platinum atom, calculating the optical properties of the resulting material. We…
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Keywords:
mos2 surface;
mos2;
gap;
absorption ... See more keywords