 Optical and photocatalytic properties of two-dimensional MoS 2N. Singh, G. Jabbour and U. Schwingenschlögl () The European Physical Journal B: Condensed Matter and Complex Systems, 2012, vol. 85, issue 11, 1-4 Abstract: The electronic structure and optical spectrum of monolayer MoS 2 are calculated using both the modified Becke-Johnson (mBJ) approximation and Bethe-Salpeter equation. Bulk MoS 2 is an indirect band gap semiconductor, but thinned to a monolayer it converts to a direct band gap semiconductor with increased gap. The calculated mBJ band gaps of MoS 2 amount to 1.15 eV for the bulk and 1.90 eV for the monolayer, in excellent agreement with experiment. The experimental excitonic peaks of monolayer MoS 2 at 1.88 eV and 2.06 eV are reproduced by the calculations. The high photoluminescence yield can be attributed to a high binding energy of the excitons and is not due to a splitting of the valence bands, as is commonly assumed. We also show that monolayer MoS 2 has the ability to oxidize H 2 O and produce O 2 as well as to reduce H + to H 2 . Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2012 Keywords: Mesoscopic and Nanoscale Systems (search for similar items in EconPapers) Downloads: (external link) Related works: Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:85:y:2012:i:11:p:1-4:10.1140/epjb/e2012-30449-7 Ordering information: This journal article can be ordered from DOI: 10.1140/epjb/e2012-30449-7 Access Statistics for this article The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences |
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