Rationalize the Significantly Enhanced Photocatalytic Efficiency of In3+-doped α′-Ga2S3 by Bond Theory and Local Structural Distortion
| Autor: | Jing Li, Pengfei Jiang, Wenliang Gao, Tao Yang, Rihong Cong, Rong Wang |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
Doping 02 engineering and technology Electronic structure Electron 010402 general chemistry 021001 nanoscience & nanotechnology Antibonding molecular orbital 01 natural sciences 0104 chemical sciences Dipole Atomic orbital Chemical physics Photocatalysis General Materials Science Physical and Theoretical Chemistry 0210 nano-technology Solid solution |
| Zdroj: | The Journal of Physical Chemistry Letters. 12:1772-1776 |
| ISSN: | 1948-7185 |
| DOI: | 10.1021/acs.jpclett.0c03830 |
| Popis: | Mechanistic understanding on the electronic structure of α'-Ga2S3 unravel that the electrons in nonbonding 3pz orbitals of two-coordinated S2- anions are photoexcited to the adjacent σ-type antibonding orbitals (Ga-4s and S-3p) and migrate thereafter to the surface along the a-axis. By introduction of the In-S antibonding on the one hand and modifying the local dipole moment on the other hand, the light absorption ability and charge separation efficiency can be both enhanced by In3+-to-Ga3+ substitution, and the photocatalytic H2 evolution rate can be significantly promoted. Local geometric distortion is common in solid solutions, but its effect on charge migration behavior has yet been considered in semiconducting photocatalysis. Our case study on In3+-doped Ga2S3 is a good reminder of such the importance. |
| Databáze: | OpenAIRE |
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