Crystal Facet Dependent Energy Band Structures of Polyhedral Cu2O Nanocrystals and Their Application in Solar Fuel Production

Shan-Jen Yang; Yin-Kai Lin; Ying-Chih Pu; Yung-Jung Hsu

doi:10.1021/acs.jpclett.2c01632

Crystal Facet Dependent Energy Band Structures of Polyhedral Cu₂O Nanocrystals and Their Application in Solar Fuel Production

J Phys Chem Lett. 2022 Jul 14;13(27):6298-6305. doi: 10.1021/acs.jpclett.2c01632. Epub 2022 Jul 5.

Authors

Shan-Jen Yang¹, Yin-Kai Lin², Ying-Chih Pu¹, Yung-Jung Hsu^{2

3}

Affiliations

¹ Department of Materials Science, National University of Tainan, Tainan 70005, Taiwan.
² Department of Materials Science and Engineering, National Yang Ming Chiao Tung University, Hsinchu, Taiwan 30010, Taiwan.
³ Center for Emergent Functional Matter Science, National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan.

PMID: 35786932
DOI: 10.1021/acs.jpclett.2c01632

Abstract

We demonstrated a facile hydrothermal method to synthesize the (100)-, (110)- and (111)-oriented Cu₂O nanocrystals (NCs) by controlling the concentration of the incorporated anions (CO₃^2- and SO₃^2-). The crystal facet dependent activity of the orientation controlled Cu₂O NCs in the rhodamine B (RhB) photodegradation and photocatalytic hydrogen (H₂) evolution was found to follow the trend: (111) > (110) > (100). The mechanism was investigated by characterizing the optical property, energy band structure, interfacial charge carrier dynamics and reducing ability. The results indicated that the (111)-oriented Cu₂O NCs exhibit the higher conduction band (CB) potential as compared with the (110)-oriented and (100)-oriented Cu₂O NCs, which resulted in the largest driving force of interfacial electron transfer for (111)-oriented Cu₂O NCs to carry out solar fuel generation. The current study offers an easy strategy for crystal facet engineering of semiconductors and provides important physical insights into their electronic properties for the desired solar energy conversions.