Tunable electronic and optical properties of GeC/g-C3N4 vdWH by electric field and biaxial strain

  • Chenxi Liu
  • , Zhonghua Dai
  • , Jie Hou
  • , Weiguo Liu
  • , Xiaobing Ren
  • , Shuitao Gu

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

van der Waals heterostructures (vdWHs) show great potential for optoelectronic devices and photocatalysis. This work investigates the stability, electronic structure and optical properties of GeC/g-C3N4 using first-principles and considers the role of external electric fields and biaxial strain in the heterostructure. The results show a reduced band gap of GeC/g-C3N4 vdWH with strong optical absorption in the visible light range compared to monolayer GeC and g-C3N4. The heterostructure is a type-II semiconductor that is extremely suitable for the development of optoelectronic devices and photocatalytic materials. The external electric field can flexibly tune the band gap and band alignment of GeC/g-C3N4 vdWH, enabling it to transition between type-I, type-II and type-III. Biaxial strain effectively tunes the band structure of GeC/g-C3N4 vdWH, reducing the band gap and further increasing optical absorption capacity. These results suggest that external electric fields and biaxial strain are effective ways to tune GeC/g-C3N4 vdWH, providing a theoretical basis for relevant experimental preparation.

Original languageEnglish
Article number111782
JournalJournal of Physics and Chemistry of Solids
Volume185
DOIs
StatePublished - Feb 2024
Externally publishedYes

Keywords

  • Electronic structure
  • First principle
  • van der Waals heterostructure

Fingerprint

Dive into the research topics of 'Tunable electronic and optical properties of GeC/g-C3N4 vdWH by electric field and biaxial strain'. Together they form a unique fingerprint.

Cite this