Rational design of dynamic Z-scheme heterojunction composites for photocatalytic Cr(VI) reduction and H2 production: an experimental and computational study

Valeriia Poliukhova, Jong Ku Park, Doyeon Kim, Sovann Khan, Jin Young Seo, Se Jin Kim, Gun Hee Moon, Kyung Youl Baek, Seungchul Kim, So Hye Cho

Research output: Contribution to journalArticlepeer-review

Abstract

This study established a dynamic Z-scheme driven heterostructure of ZnO-ZnS (ZnOS) nanoparticles (NPs) by sulfidation of ZnO NPs. The ZnOS composites with different atomic ratios of S/O were analyzed with multiple characterization techniques. The composite materials with a S/O atomic ratio of 1:1 yielded the best photocatalytic results for toxic Cr(VI) removal from water and H2 production from water under UV light. This study examined a dynamic Z-scheme energy transfer behavior at the junction of ZnOS composites for the first time via atomic and electronic structure modeling using density functional theory (DFT) simulations. ZnOS NPs were further immobilized on polyvinylidene fluoride (PVDF) via a non-solvent-induced phase separation method for functional recovery after photocatalysis.

Original languageEnglish
Article number100363
JournalChemical Engineering Journal Advances
Volume12
DOIs
Publication statusPublished - Nov 15 2022
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Environmental Chemistry
  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering

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