| 论文简介 |
Designing and developing the highly efficient photocatalysts is full of significance to achieve spontaneous
photolysis water. In this work, using the first-principles calculations, we have performed a systematic
theoretical study of water splitting photocatalytic activity of the InSe/ g -CN heterojunction. It is concluded
that the InSe/ g -CN heterojunction is a typical type-II semiconductor, whose electrons and holes can be
effectively separated. And the potential of the conduction band minimum (CBM) and valence band max-
imum (VBM) satisfy the requirements for photolysis water. Moreover, the changes of Gibbs free energy
( �G ) of the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER) are calculated
to investigate thermodynamic sustainability of photolysis water. The results show that when pH = 7, the
potential driving force provided by the InSe/ g -CN heterojunction can ensure the spontaneous progress
of HER and OER. In addition, it is found that the solar conversion efficiency ( ηS ) of the InSe/ g -CN het-
erojunction is up to 13.7%, which indicates it has broad commercial application prospects. Hence, the
InSe/ g -CN heterojunction is expected to be an excellent candidate for photolysis water. |
(创新港)
