<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Sainbileg, Batjargal</style></author><author><style face="normal" font="default" size="100%">Lai, Ying-Ren</style></author><author><style face="normal" font="default" size="100%">Li-Chyong Chen</style></author><author><style face="normal" font="default" size="100%">Hayashi, Michitoshi</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">The dual-defective SnS2 monolayers: promising 2D photocatalysts for overall water splitting</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Chemistry Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">2019</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://dx.doi.org/10.1039/C9CP04649F</style></url></web-urls></urls><publisher><style face="normal" font="default" size="100%">The Royal Society of Chemistry</style></publisher><volume><style face="normal" font="default" size="100%">21</style></volume><pages><style face="normal" font="default" size="100%">26292 - 26300</style></pages><isbn><style face="normal" font="default" size="100%">1463-9076</style></isbn><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Photocatalytic water splitting is a promising way to produce hydrogen fuel from solar energy. In this regard, the search for new photocatalytic materials that can efficiently split water into hydrogen is essential. Here, using first-principles simulations, we demonstrate that the dual-defective SnS2 (Ni-SnS2-VS), by both single-atom nickel doping and sulfur monovacancies, becomes a promising two-dimensional photocatalyst compared with SnS2. The Ni-SnS2-VS monolayer, in particular, exhibits a suitable band alignment that perfectly overcomes the redox potentials for overall water splitting. The dual-defective monolayer displays remarkable photocatalytic activity, a spatially separated carrier, a broadened optical absorption spectrum, and enhanced adsorption energy of H2O. Therefore, the dual-defective SnS2 monolayer can serve as an efficient photocatalyst for overall water splitting to produce hydrogen fuel. Furthermore, a novel dual-defect method can be an effective strategy to enhance the photocatalytic behavior of 2D materials; it may pave inroads in the development of solar-fuel generation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">48</style></issue><notes><style face="normal" font="default" size="100%">n/a</style></notes></record></records></xml>