The In 2 SeS/g-C 3 N 4 heterostructure: a new two-dimensional material for photocatalytic water splitting
发布时间：2025-04-30
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- 发布时间：
- 2025-04-30
- 论文名称：
- The In 2 SeS/g-C 3 N 4 heterostructure: a new two-dimensional material for photocatalytic water splitting
- 发表刊物：
- J. Mater. Chem. C
- 摘要：
- In this work, the structural, electronic and optical properties of the In 2 SeS/g-C 3 N 4 heterostructure are investigated to explore a highly efficient and spontaneous water splitting photocatalyst by first-principles
calculations. The results show that the In 2 SeS/g-C 3 N 4 heterostructure with a bandgap (E g ) of 2.03 eV is a typical type II semiconductor, which guarantees that the generated electrons and holes can be
effectively separated. The potential of the conduction band minimum (CBM) and the valence band maximum (VBM) satisfies the requirements for photocatalytic water splitting. Meanwhile, the In 2 SeS/g-
C 3 N 4 heterostructure has a strong light-absorption ability, and mainly absorbs purple and blue light. In addition, the changes of Gibbs free energy (DG) are calculated to understand the oxygen evolution reaction (OER) process of water splitting. Under neutral conditions (pH = 7), the Gibbs free energy continuously decreases during the OER process, verifying the thermodynamic feasibility of water splitting through the In 2 SeS/g-C 3 N 4 heterostructure. Hence, the In 2 SeS/g-C 3 N 4 heterostructure is a kind of photocatalyst with excellent performance in the area of photocatalytic water splitting.
- 合写作者：
- C. He, F. S. Han, J. H. Zhang and W. X. Zhan
- 卷号：
- 2020, 8, 6923
- 页面范围：
- 2020, 8, 6923
- 是否译文：
- 否
- 发表时间：
- 2020-05-28