First-Principles Density Functional Theory Calculations on the Potential of Sc2CO2 MXene Nanosheets as a Dual-Mode Sensor for Detection of Volatile Organic …

RP Reji, SKC Balaji, Y Sivalingam… - ACS Applied Nano …, 2023 - ACS Publications
Volatile organic compounds (VOCs), namely, acetone, ethanol, acetonitrile, 2-propanol,
isoprene, and toluene exhaled in human breath act as potential biomarkers for the …

Nanoengineering approaches toward artificial nose

S Kim, J Brady, F Al-Badani, S Yu, J Hart… - Frontiers in …, 2021 - frontiersin.org
Significant scientific efforts have been made to mimic and potentially supersede the
mammalian nose using artificial noses based on arrays of individual cross-sensitive gas …

Combinatorial Scanning Kelvin Probe and Density Functional Theory Studies on Selective n-Butanol Adsorption Properties of pH-Dependent Bi2WO6 …

RS Ghuge, RP Reji, SV Jayaraman… - ACS Applied …, 2024 - ACS Publications
Fast and effective detection of volatile organic compounds (VOCs) is a crucial criterion for
develo** stable and room-temperature operable gas sensors. In this work, we have …

Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis

R Gilani, SS Alarfaji, K Nadeem, A Saeed, MI Khan - RSC advances, 2024 - pubs.rsc.org
In this research, we employed density functional theory (DFT) to evaluate the sensing
capabilities of transition metal-decorated two-dimensional WTe2 TMDs nanosheets toward …

Response to VOCs stimuli by triphenylamine derivatives functionalized zinc oxide nanorods: A promising material for food freshness monitoring

G Marappan, AK Mia, K Puspharaj… - Surfaces and …, 2024 - Elsevier
In this work, we have examined the photo-induced volatile organic compounds (VOCs)
sensing ability of triphenylamine (TPA) derivatives functionalized zinc oxide nanorods (ZnO …

Aggregation behavior in naphthalene-appended diketopyrrolopyrrole derivatives and its gas adsorption impact on surface potential

GK Dutta, S Kasthuri, G Marappan… - Journal of Materials …, 2019 - pubs.rsc.org
Diketopyrrolopyrrole derivatives containing phenyl and thiophene units adorned with
alkoxynaphthalene (Naph-PDPP and Naph-TDPP) were synthesized by a Suzuki cross …

A quantum chemical assessment on the sensing ability of porphyrins and phthalocyanines towards volatile organic compounds using density functional theory …

RP Reji, Y Sivalingam, Y Kawazoe… - … Systems Design & …, 2024 - pubs.rsc.org
In this work, we have investigated the sensing ability of four organic semiconductors namely,
H2TPPCOOH and ZnTPPCOOH porphyrins, H2Pc and FePc phthalocyanines for the …

Tuning the π-conjugation of 2-Thiohydantoins toward a rigorously defined detection of volatile organic compounds by surface photovoltage

PP Gawas, A Bora, RP Reji, SK Cb… - ACS Applied …, 2022 - ACS Publications
The design of portable devices by immobilization of sensory probes using donor–acceptor
(D–A) architectures enables the visual detection and onsite analysis of volatile organic …