A novel high-performance methane sensor based on Ti-Decorated 2D γ-graphyne: A dispersion-corrected DFT insight

Adsorption properties of small gas molecules on SnSe2 monolayer supported with transition metal: first-principles calculations

“…A similar phenomenon occurs in CH 4 molecule adsorption on Ti-decorated γ-graphyne. 41 From Fig. 6(a), we find that the C:2p, H:1s and Sc:3d orbitals are slightly hybridized around −7 eV, indicating that the interaction between the CH 4 molecule and the substrate is moderate.…”

Graphynes and Graphdiynes for Energy Storage and Catalytic Utilization: Theoretical Insights into Recent Advances

“…It was shown that Ti doping enhanced the performance of the γ-GY-based sensors for CH 4 detection. 260 For the detection of H 2 , CO, C 2 H 2 , and CH 4 in transformer oil, Pd-decorated γ-GY showed the highest adsorption energy and charge transfer for CO due to the atomic orbital hybridization between Pd atom in Pd-decorated γ-GY and C atom in CO. 261 The average energy gap variations also showed that pristine γ-GY is a prominent material for ethanol detection rather than for methanol detection. The measured conductivity changes and short recovery time of γ-GY nanosheets after ethanol vapor adsorption could be potentially used for the detection of ethanol.…”

“…The electrical conductivity of Mn-decorated γ-GY was changed by the chemical adsorption of gas molecules (CO, CO 2 , NH 3 , NO, and NO 2 ), and the recovery time after the detection helped to efficiently detect these gas molecules. It was shown that Ti doping enhanced the performance of the γ-GY-based sensors for CH 4 detection . For the detection of H 2 , CO, C 2 H 2 , and CH 4 in transformer oil, Pd-decorated γ-GY showed the highest adsorption energy and charge transfer for CO due to the atomic orbital hybridization between Pd atom in Pd-decorated γ-GY and C atom in CO …”

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

“…Therefore, the understanding of the binding energy of CH 4 gas on the CNT surface and doped CNT surface still needs to be addressed. Simultaneously, various doped graphene nanostructures have been explored for CH 4 sensing either theoretically 140 or experimentally.…”