TY  - JOUR
AU  - Tomović, Aleksandar
AU  - Miljkovic, Helena
AU  - Dražić, Miloš
AU  - Jovanović, Vladimir P.
AU  - Žikić, Radomir
PY  - 2023
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/2148
AB  - Triacetone triperoxide (TATP) is a highly potent homemade explosive commonly used in terrorist
attacks. Its detection poses a significant challenge due to its volatility, and the lack of portability of
current sensing techniques. To address this issue, we propose a novel approach based on singlemolecule TATP detection in the air using a device where tunneling current in N-terminated carbonnanotubes nanogaps is measured. By employing the density functional theory combined with the nonequilibrium Green’s function method, we show that current of tens of nanoamperes passes through
TATP trapped in the nanogap, with a discrimination ratio of several orders of magnitude even against
prevalent indoor volatile organic compounds (VOCs). This high tunneling current through TATP’s highest
occupied molecular orbital (HOMO) is facilitated by the strong electric field generated by N–C polar
bonds at the electrode ends and by the hybridization between TATP and the electrodes, driven by oxygen atoms within the probed molecule. The application of the same principle is discussed for graphene
nanogaps and break-junctions.
PB  - RSC
T2  - Physical Chemistry Chemical Physics
T1  - Tunnel junction sensing of TATP explosive at the single-molecule level
EP  - 26658
IS  - 39
SP  - 26648
VL  - 25
DO  - 10.1039/d3cp02767h
ER  - 

@article{
author = "Tomović, Aleksandar and Miljkovic, Helena and Dražić, Miloš and Jovanović, Vladimir P. and Žikić, Radomir",
year = "2023",
abstract = "Triacetone triperoxide (TATP) is a highly potent homemade explosive commonly used in terrorist
attacks. Its detection poses a significant challenge due to its volatility, and the lack of portability of
current sensing techniques. To address this issue, we propose a novel approach based on singlemolecule TATP detection in the air using a device where tunneling current in N-terminated carbonnanotubes nanogaps is measured. By employing the density functional theory combined with the nonequilibrium Green’s function method, we show that current of tens of nanoamperes passes through
TATP trapped in the nanogap, with a discrimination ratio of several orders of magnitude even against
prevalent indoor volatile organic compounds (VOCs). This high tunneling current through TATP’s highest
occupied molecular orbital (HOMO) is facilitated by the strong electric field generated by N–C polar
bonds at the electrode ends and by the hybridization between TATP and the electrodes, driven by oxygen atoms within the probed molecule. The application of the same principle is discussed for graphene
nanogaps and break-junctions.",
publisher = "RSC",
journal = "Physical Chemistry Chemical Physics",
title = "Tunnel junction sensing of TATP explosive at the single-molecule level",
pages = "26658-26648",
number = "39",
volume = "25",
doi = "10.1039/d3cp02767h"
}

Tomović, A., Miljkovic, H., Dražić, M., Jovanović, V. P.,& Žikić, R.. (2023). Tunnel junction sensing of TATP explosive at the single-molecule level. in Physical Chemistry Chemical Physics
RSC., 25(39), 26648-26658.
https://doi.org/10.1039/d3cp02767h

Tomović A, Miljkovic H, Dražić M, Jovanović VP, Žikić R. Tunnel junction sensing of TATP explosive at the single-molecule level. in Physical Chemistry Chemical Physics. 2023;25(39):26648-26658.
doi:10.1039/d3cp02767h .

Tomović, Aleksandar, Miljkovic, Helena, Dražić, Miloš, Jovanović, Vladimir P., Žikić, Radomir, "Tunnel junction sensing of TATP explosive at the single-molecule level" in Physical Chemistry Chemical Physics, 25, no. 39 (2023):26648-26658,
https://doi.org/10.1039/d3cp02767h . .