10
views
0
recommends
+1 Recommend
0 collections
    0
    shares
      • Record: found
      • Abstract: found
      • Article: not found

      A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate

      Read this article at

      ScienceOpenPublisher
      Bookmark
          There is no author summary for this article yet. Authors can add summaries to their articles on ScienceOpen to make them more accessible to a non-specialist audience.

          Abstract

          A Janus MoSSe monolayer is theoretically predicted to be a wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate.

          Abstract

          For realizing efficient solar to hydrogen energy conversion based on photocatalytic technology, it is important to explore a photocatalyst with wide-range solar absorption and high electron–hole separation efficiency. With a built-in electric field, the recently synthesized Janus MoSSe is intrinsically beneficial for promoting the separation of photo-generated electrons and holes. Thus in this work, we examine the possibility of MoSSe as an efficient water-splitting photocatalyst and the effects of isotropic and uniaxial strains by the first-principles calculations. It is interesting to find that MoSSe exhibits pronounced visible-light absorption efficiency, proper valence and conduction band positions for initializing the redox reactions of H 2O, and high carrier mobilities. Moreover, the band gap of MoSSe is decreased and the direct–indirect band gap transition occurs upon tensile strain, which can not only extend the light absorption range, but also reduce the recombination of photo-generated carriers. Furthermore, H 2O molecules adsorb more strongly on the MoSSe monolayer surface than on the MoS 2 surface, which is also beneficial for the surface water-splitting reactions. These insights provide eloquent evidence that the Janus MoSSe monolayer is potentially an efficient and wide solar-spectrum water-splitting photocatalyst.

          Related collections

          Most cited references37

          • Record: found
          • Abstract: not found
          • Article: not found

          Generalized Gradient Approximation Made Simple

            Bookmark
            • Record: found
            • Abstract: not found
            • Article: not found

            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

              Bookmark
              • Record: found
              • Abstract: not found
              • Article: not found

              2D transition metal dichalcogenides

                Bookmark

                Author and article information

                Journal
                JMCAET
                Journal of Materials Chemistry A
                J. Mater. Chem. A
                Royal Society of Chemistry (RSC)
                2050-7488
                2050-7496
                2018
                2018
                : 6
                : 5
                : 2295-2301
                Affiliations
                [1 ]School of Physics and Optoelectronic Engineering
                [2 ]Xidian University
                [3 ]Xi'an
                [4 ]China
                [5 ]School of Telecommunications Engineering
                Article
                10.1039/C7TA10015A
                f4c2c993-1581-4be4-a54b-805bcdb1c3b5
                © 2018

                http://rsc.li/journals-terms-of-use

                History

                Comments

                Comment on this article