ArticleRSC advances2023
Robust and facile detection of formaldehyde through transition metals doped olympicene sensors: a step forward DFT investigation.
Article in RSC advances, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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
1 citing paper in PubMed, 11 citations in OpenAlex.
- Non-Invasive Detection of Tumors by Volatile Organic Compounds in Urine.Biomedicines · 2025Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Formaldehyde, a volatile organic compound (VOC) released by building and decoration materials, has many applications in the chemical feedstock industry. Excessive release of formaldehyde can cause serious health issues, such as chest tightness, cough, cancer, and tissue damage. Therefore, detection of formaldehyde is required. Herein transition metal (Fe, Ni, and Pd) doped olympicene is evaluated as a gas sensor for the detection of formaldehyde. The performance of the designed electrochemical sensor is evaluated through interaction energy, natural bond orbital (NBO) non-covalent interaction (NCI), electron density differences (EDD), electrostatic potential (ESP), quantum theory of atom in molecule (QTAIM), frontier molecular orbital (FMO), and density of states (DOS) analysis. Interaction energies obtained at B3LYP-D3/def-2 TZVP level of theory shows that formaldehyde is physiosorbed over the surface of transition metal doped olympicene. The trend for interaction energy is OLY(Ni)/HCHO > OLY(Fe)/HCHO > OLY(Pd)/HCHO. The presence of non-covalent interactions is confirmed by the QTAIM and NCI analyses, while transfer of charges is confirmed by natural bond orbital analysis. The reduced density gradient (RDG) approach using noncovalent interaction (NCI) analysis demonstrates that electrostatic hydrogen bonding interactions prevail in the complexes. Recovery time is calculated to check the reusability of the sensor. This study may provide a deep insight for the designing of highly efficient electrochemical sensor against formaldehyde with transition metals doped on olympicene.
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Registered trials
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