ArticleRoyal Society open science2022
Density functional theory study of Mobius boron-carbon-nitride as potential CH
Article in Royal Society open science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
6 citing papers in PubMed.
- Comparative DFT investigation of 1T and 2H phase Janus TaSSe monolayers as potential sensors for toxic gas molecules.Scientific reports · 2026Article
- Adsorption and Sensing Behavior of Pristine, P-Doped, and Al-Doped Boron Nitride Nanosheets Toward Toxic Hydrogen Fluoride Gas: Insights from Density Functional Theory Analysis.ChemistryOpen · 2026Article
- Impact of N-Doping on MoSeChemistryOpen · 2025Article
- A first principles study of RbSnClNanoscale advances · 2024Article
- Phosphorus-doped T-graphene nanocapsule toward OScientific reports · 2024Article
- Density functional theory study of Mobius boron-carbon-nitride as potential CHRoyal Society open science · 2022Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The interesting properties of Mobius structure and boron-carbon-nitride (BCN) inspired this research to study different characteristics of Mobius BCN (MBCN) nanoribbon. The structural stability and vibrational, electrical and optical properties are analysed using the density functional theory. The gas-sensing ability of the modelled MBCN structure was also studied for methane, hydrogen sulfide, ammonia, phosgene and methanol gases. The negative adsorption energy and alteration of electronic bandgap verified that MBCN is very sensitive toward the selected gases. The complex structures showed a high absorption coefficient with strong chemical potential and 7 ps-0.3 ms recovery time. The negative change in entropy signifies that all the complex structures were thermodynamically stable. Among the selected gases, the MBCN showed the strongest interaction with methanol gas.
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Registered trials
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