Doping and Defect-Induced Germanene: A Superior Media for Sensing H2S, SO2, and CO2 gas molecules
Md Monirojjaman Monshi; Sadegh Mehdi Aghaei; Irene Calizo · 2017 · arXiv
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract (excerpt)
First-principles calculations based on density functional theory (DFT) have been employed to investigate the structural, electronic, and gas-sensing properties of pure, defected, and doped germanene nanosheets. Our calculations have revealed that while a pristine germanene nanosheet adsorbs CO2 weakly, H2S moderately, and SO2 strongly, the introduction of vacancy defects increases the sensitivity significantly which is promising for future gas-sensing applications.Mulliken population analysis imparts that an appreciable amount of charge transfer occurs between gas molecules and a germanene nan
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Metadata source: arXiv