Bidirectional puckering exciting superior optoelectronic performance of ZnS/graphene/ZnO heterostructures

Zhang Zhang, Lin Li, Ping Yang and Haiying Yang

Renewable Energy, 2025, vol. 244, issue C

Abstract: We investigated the optoelectronic properties of ZnO/Graphene (Gra), ZnS/Gra, and ZnO/Gra/ZnS (OGS) heterostructures by using density functional theory (DFT). It was found that the OGS sandwich configuration exhibited the most superior performance, attributed to a unique bidirectional puckering structure in ZnS. This structure promotes electron localization and establishes efficient electron transport pathways, significantly enhancing charge transfer and optical absorption. Analysis of band structure, charge transfer, and optical properties showed that the puckering-induced interfacial interactions optimize conductivity and preserve the intrinsic characteristics of constituent materials. With a 24.2 % increase in carrier mobility and a 32.6 % improvement in optical absorption, the OGS heterostructure is a promising candidate for optoelectronic applications such as photocatalysis, photovoltaics, and energy storage devices.

Keywords: Bidirectional puckering structure; ZnO/graphene/ZnS heterostructure; Photocatalyst; Density functional theory; Optoelectronic properties (search for similar items in EconPapers)
Date: 2025
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0960148125003878
Full text for ScienceDirect subscribers only

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:renene:v:244:y:2025:i:c:s0960148125003878

DOI: 10.1016/j.renene.2025.122725

Access Statistics for this article

Renewable Energy is currently edited by Soteris A. Kalogirou and Paul Christodoulides

More articles in Renewable Energy from Elsevier
Bibliographic data for series maintained by Catherine Liu ().