loading page

Application of two-dimensional sandwich structure supported Pt single-atom catalyst in photocatalytic hydrogen evolution: first principle
  • +6
  • yanshuai li,
  • shizhi dong,
  • bingshuai zhu,
  • ruichuan li,
  • wenlong shang,
  • linghui chen,
  • jinyu zhang,
  • zhilong zhao,
  • lin guo
yanshuai li
Liaoning Technical University
Author Profile
shizhi dong
Liaoning Technical University
Author Profile
bingshuai zhu
Liaoning Technical University
Author Profile
ruichuan li
Liaoning Technical University
Author Profile
wenlong shang
Liaoning Technical University
Author Profile
linghui chen
Liaoning Technical University
Author Profile
jinyu zhang
Liaoning Technical University
Author Profile
zhilong zhao
Liaoning Technical University
Author Profile
lin guo
Beihang University
Author Profile

Abstract

The preparation of hydrogen by photocatalytic principle is an important subject in the future energy direction. This article intends to design the catalytic structure of a crystalline (amorphous) TiO2/two-dimensional MoS2 sandwich structure supporting a single-atom, and explore the effect of this special structure on the photocatalytic reaction.Calculating the effective mass, electrostatic potential, light absorption spectrum and other related properties by DFT method, the analysis shows that the sandwich structure catalyst has good carrier transfer ability and electron-hole separation ability. Except for the Pt@Amorphousr-TiO2/MoS2 sandwich structure single-atom catalyst, which only has an excellent effect on the oxygen evolution of water, the rest of the interlayer catalysts have the two characteristics of photocatalytic hydrogen evolution and oxygen evolution.The new catalyst designed in this paper has innovative design ideas and high-efficiency research and development value.

Peer review status:IN REVISION

24 May 2021Submitted to International Journal of Quantum Chemistry
25 May 2021Submission Checks Completed
25 May 2021Assigned to Editor
26 May 2021Reviewer(s) Assigned
26 May 2021Review(s) Completed, Editorial Evaluation Pending
26 May 2021Editorial Decision: Revise Minor
31 May 20211st Revision Received
01 Jun 2021Submission Checks Completed
01 Jun 2021Assigned to Editor
01 Jun 2021Reviewer(s) Assigned
13 Jun 2021Review(s) Completed, Editorial Evaluation Pending
14 Jun 2021Editorial Decision: Revise Major