<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Yong He</style></author><author><style face="normal" font="default" size="100%">Yao-Hui Zhu</style></author><author><style face="normal" font="default" size="100%">Zhang, Min</style></author><author><style face="normal" font="default" size="100%">Juan Du</style></author><author><style face="normal" font="default" size="100%">Wen-Hui Guo</style></author><author><style face="normal" font="default" size="100%">Shi-ming Liu</style></author><author><style face="normal" font="default" size="100%">Chong Tian</style></author><author><style face="normal" font="default" size="100%">Zhong, Hong-xia</style></author><author><style face="normal" font="default" size="100%">Wang, Xinqiang</style></author><author><style face="normal" font="default" size="100%">Shi, Jun-jie</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">High hydrogen production in the InSe/MoSi2N4 van der Waals heterostructure for overall water splitting</style></title><secondary-title><style face="normal" font="default" size="100%">Phys. Chem. Chem. Phys.</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2022</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://dx.doi.org/10.1039/D1CP04705A</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%">24</style></volume><pages><style face="normal" font="default" size="100%">2110-2117</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Very recently, the septuple-atomic-layer MoSi2N4 has been successfully synthesized by a chemical vapor deposition method. However, pristine MoSi2N4 exhibits some shortcomings, including poor visible-light harvesting capability and a low separation rate of photo-excited electron–hole pairs, when it is applied in water splitting to produce hydrogen. Fortunately, we find that MoSi2N4 can be considered as a good co-catalyst to be stacked with InSe forming an efficient heterostructure photocatalyst. Here, the electronic and photocatalytic properties of the two-dimensional (2D) InSe/MoSi2N4 heterostructure have been systematically investigated by density functional theory for the first time. The results demonstrate that 2D InSe/MoSi2N4 has a type-II band alignment with a favourable direct bandgap of 1.61 eV and exhibits suitable band edge positions for overall water splitting. Particularly, 2D InSe/MoSi2N4 has high electron mobility (104 cm2 V−1 s−1) and shows a noticeable optical absorption coefficient (105 cm−1) in the visible-light region of the solar spectrum. These brilliant properties declare that 2D InSe/MoSi2N4 is a potential photocatalyst for overall water splitting.</style></abstract></record></records></xml>