Bandgap engineering of germanene for gas sensing applications.

ABSTRACT: Gas sensors are used to detect gas components in human breath to diagnose diseases, such as cancers. However, choosing suitable two-dimensional materials for gas sensors is a challenge. Germanene can be a good candidate because of its outstanding electronic and structural properties. Based on the density functional theory calculations with various schemes, such as PBE + vdW-DF2, HSE06 + PBE, and HSE06 + vdW-DF2, we elucidated the structural and electronic properties of germanene substrates (perfect, vacancy-1, and vacancy-2) while adsorbing hepatocellular carcinoma-related volatile organic compounds (VOCs), i.e., acetone, 1,4-pentadiene, methylene chloride, phenol, and allyl methyl sulfide. These gases have been selected for investigation because of their most frequent occurence in

SUBMITTER: Le OK 

PROVIDER: S-EPMC10714202 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature