Articles with "mos2 surface" as a keyword



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Hydrogen physisorption based on the dissociative hydrogen chemisorption at the sulphur vacancy of MoS2 surface

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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.… read more here.

Keywords: mos2 surface; physisorption; sulphur vacancy; hydrogen ... See more keywords
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Effect of Pt Decoration on the Optical Properties of Pristine and Defective MoS2: An Ab-Initio Study

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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… read more here.

Keywords: mos2 surface; mos2; gap; absorption ... See more keywords