Chemistry of one-dimensional metallic edge states in MoS2 nanoclusters

JV Lauritsen, M Nyberg, RT Vang, MV Bollinger… - …, 2003 - iopscience.iop.org
JV Lauritsen, M Nyberg, RT Vang, MV Bollinger, BS Clausen, H Topsøe, KW Jacobsen
Nanotechnology, 2003iopscience.iop.org
Nanostructures often have unusual properties that are linked to their small size. We report
here on extraordinary chemical properties associated with the edges of two-dimensional
MoS 2 nanoclusters, which we show to be able to hydrogenate and break up thiophene (C 4
H 4 S) molecules. By combining atomically resolved scanning tunnelling microscopy images
of single-layer MoS 2 nanoclusters and density functional theory calculations of the reaction
energetics, we show that the chemistry of the MoS 2 nanoclusters can be associated with …
Abstract
Nanostructures often have unusual properties that are linked to their small size. We report here on extraordinary chemical properties associated with the edges of two-dimensional MoS 2 nanoclusters, which we show to be able to hydrogenate and break up thiophene (C 4 H 4 S) molecules. By combining atomically resolved scanning tunnelling microscopy images of single-layer MoS 2 nanoclusters and density functional theory calculations of the reaction energetics, we show that the chemistry of the MoS 2 nanoclusters can be associated with one-dimensional metallic states located at the perimeter of the otherwise insulating nanoclusters. The new chemistry identified in this work has significant implications for an important catalytic reaction, since MoS 2 nanoclusters constitute the basis of hydrotreating catalysts used to clean up sulfur-containing molecules from oil products in the hydrodesulfurization process.
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