TY  - CONF
AU  - Jovanović, Vladimir P.
AU  - Tomović, Aleksandar
AU  - Dražić, Miloš
AU  - Djurišić, Ivana
AU  - Žikić, Radomir
PY  - 2023
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/2169
AB  - Here in this talk, we propose the simultaneous measurement of rectification and amplitude of tunneling current during electrical probing of a molecule in a nanogap for efficient single-molecule detection. Also, we suggest the application of nitrogen-terminated graphene or CNT nanogaps due to their inherent outstanding features. With DFT and Non-Equilibrium Green's Function formalism, we show that tunneling current through various molecules, including ssDNA, TATP, or small organics placed in those nanogaps, exhibits unique rectification behavior under square pulses of alternating bias. The rectification arises by on-off switching of electronic transport through the molecular HOMO or LUMO levels, sustained by partial charging of the probed molecule, generated by asymmetric hybridization of that level with Bloch states from one of the electrodes. An effect that mimics local gating, i. e. an interaction between the molecule and the nitrogen-induced dipole moment located at the N-C interface of the electrode ends, strongly influences the rectification. The simultaneous measurement of rectification and amplitude of tunneling current could be applied to gas-phase single-molecule detection, as shown in the example case of the TATP. The TATP (triacetone triperoxide) is a volatile, potent, and hard-to-detect explosive made from commonly available chemicals, a terrorist weapon of choice in the last two decades. The rectification could also be applied in the liquid phase, offering the possibility of high-throughput and precise DNA sequencing. We found that the environment (neighboring nucleotides, water molecules, and counterions) does not mask ssDNA rectification while ssDNA traverses the nanogap.
PB  - Institute of Physics Belgrade
C3  - The 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade
T1  - Single-Molecule Probing By Rectification in a Nanogap
SP  - 74
UR  - https://hdl.handle.net/21.15107/rcub_rimsi_2169
ER  - 

@conference{
author = "Jovanović, Vladimir P. and Tomović, Aleksandar and Dražić, Miloš and Djurišić, Ivana and Žikić, Radomir",
year = "2023",
abstract = "Here in this talk, we propose the simultaneous measurement of rectification and amplitude of tunneling current during electrical probing of a molecule in a nanogap for efficient single-molecule detection. Also, we suggest the application of nitrogen-terminated graphene or CNT nanogaps due to their inherent outstanding features. With DFT and Non-Equilibrium Green's Function formalism, we show that tunneling current through various molecules, including ssDNA, TATP, or small organics placed in those nanogaps, exhibits unique rectification behavior under square pulses of alternating bias. The rectification arises by on-off switching of electronic transport through the molecular HOMO or LUMO levels, sustained by partial charging of the probed molecule, generated by asymmetric hybridization of that level with Bloch states from one of the electrodes. An effect that mimics local gating, i. e. an interaction between the molecule and the nitrogen-induced dipole moment located at the N-C interface of the electrode ends, strongly influences the rectification. The simultaneous measurement of rectification and amplitude of tunneling current could be applied to gas-phase single-molecule detection, as shown in the example case of the TATP. The TATP (triacetone triperoxide) is a volatile, potent, and hard-to-detect explosive made from commonly available chemicals, a terrorist weapon of choice in the last two decades. The rectification could also be applied in the liquid phase, offering the possibility of high-throughput and precise DNA sequencing. We found that the environment (neighboring nucleotides, water molecules, and counterions) does not mask ssDNA rectification while ssDNA traverses the nanogap.",
publisher = "Institute of Physics Belgrade",
journal = "The 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade",
title = "Single-Molecule Probing By Rectification in a Nanogap",
pages = "74",
url = "https://hdl.handle.net/21.15107/rcub_rimsi_2169"
}

Jovanović, V. P., Tomović, A., Dražić, M., Djurišić, I.,& Žikić, R.. (2023). Single-Molecule Probing By Rectification in a Nanogap. in The 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade
Institute of Physics Belgrade., 74.
https://hdl.handle.net/21.15107/rcub_rimsi_2169

Jovanović VP, Tomović A, Dražić M, Djurišić I, Žikić R. Single-Molecule Probing By Rectification in a Nanogap. in The 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade. 2023;:74.
https://hdl.handle.net/21.15107/rcub_rimsi_2169 .

Jovanović, Vladimir P., Tomović, Aleksandar, Dražić, Miloš, Djurišić, Ivana, Žikić, Radomir, "Single-Molecule Probing By Rectification in a Nanogap" in The 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade (2023):74,
https://hdl.handle.net/21.15107/rcub_rimsi_2169 .

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 . .

TY  - CONF
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/123456789/2170
AB  - Triacetone triperoxide (TATP) is a homemade, potent explosive and, unfortunately, is used in many terrorist attacks. It is hard to detect, and present techniques for its sensing do not offer portability. Fortunately, TATP is volatile, and gas-sensing-based devices for TATP detection would provide a higher level of safety. Here, we explore the possibility of single molecule TATP detection in the air by tunneling current measurement in the N-terminated carbon-based nanogaps, at the DFT+NEGF level of theory. We found TATP averaged current amplitude of tens nano amperes, with a discrimination ratio with respect to prevalent indoor volatile organic compounds (VOC) of a few orders of magnitude. That high tunneling current is due to specific TATP HOMO contributions to electronic transport. The transport facilitates the strong, in-gap electrical field generated by N-C polar bonds from electrode ends and TATP electrode hybridization, spurred by oxygen atoms from a probed molecule.
PB  - Institute of Physics Belgrade
C3  - 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade
T1  - Tunnel Junction Sensing of TATP Explosive at the Single-Molecule Level
SP  - 95
UR  - https://hdl.handle.net/21.15107/rcub_rimsi_2170
ER  - 

@conference{
author = "Tomović, Aleksandar and Miljkovic, Helena and Dražić, Miloš and Jovanović, Vladimir P. and Žikić, Radomir",
year = "2023",
abstract = "Triacetone triperoxide (TATP) is a homemade, potent explosive and, unfortunately, is used in many terrorist attacks. It is hard to detect, and present techniques for its sensing do not offer portability. Fortunately, TATP is volatile, and gas-sensing-based devices for TATP detection would provide a higher level of safety. Here, we explore the possibility of single molecule TATP detection in the air by tunneling current measurement in the N-terminated carbon-based nanogaps, at the DFT+NEGF level of theory. We found TATP averaged current amplitude of tens nano amperes, with a discrimination ratio with respect to prevalent indoor volatile organic compounds (VOC) of a few orders of magnitude. That high tunneling current is due to specific TATP HOMO contributions to electronic transport. The transport facilitates the strong, in-gap electrical field generated by N-C polar bonds from electrode ends and TATP electrode hybridization, spurred by oxygen atoms from a probed molecule.",
publisher = "Institute of Physics Belgrade",
journal = "21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade",
title = "Tunnel Junction Sensing of TATP Explosive at the Single-Molecule Level",
pages = "95",
url = "https://hdl.handle.net/21.15107/rcub_rimsi_2170"
}

Tomović, A., Miljkovic, H., Dražić, M., Jovanović, V. P.,& Žikić, R.. (2023). Tunnel Junction Sensing of TATP Explosive at the Single-Molecule Level. in 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade
Institute of Physics Belgrade., 95.
https://hdl.handle.net/21.15107/rcub_rimsi_2170

Tomović A, Miljkovic H, Dražić M, Jovanović VP, Žikić R. Tunnel Junction Sensing of TATP Explosive at the Single-Molecule Level. in 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade. 2023;:95.
https://hdl.handle.net/21.15107/rcub_rimsi_2170 .

Tomović, Aleksandar, Miljkovic, Helena, Dražić, Miloš, Jovanović, Vladimir P., Žikić, Radomir, "Tunnel Junction Sensing of TATP Explosive at the Single-Molecule Level" in 21st Symposium on Condensed Matter Physics - SFKM 2023, Belgrade (2023):95,
https://hdl.handle.net/21.15107/rcub_rimsi_2170 .

TY  - JOUR
AU  - Djurišić, Ivana
AU  - Jovanović, Vladimir P.
AU  - Dražić, Miloš
AU  - Tomović, Aleksandar
AU  - Žikić, Radomir
PY  - 2021
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/1493
AB  - The electrical current properties of single-molecule sensing devices based on electronic (tunneling) transport strongly depend on molecule frontier orbital energy, spatial distribution, and position with respect to the electrodes. Here, we present an analysis of the bias dependence of molecule frontier orbital properties at an exemplar case of DNA nucleotides in the gap between H-terminated (3, 3) carbon nanotube (CNT) electrodes and its relation to transversal current rectification. The electronic transport properties of this simple single-molecule device, whose characteristic is the absence of covalent bonding between electrodes and a molecule between them, were obtained using density functional theory and non-equilibrium Green's functions. As in our previous studies, we could observe two distinct bias dependences of frontier orbital energies: the so-called strong and the weak pinning regimes. We established a procedure, from zero-bias and empty-gap characteristics, to estimate finite-bias electronic tunneling transport properties, i.e., whether the molecular junction would operate in the weak or strong pinning regime. We also discuss the use of the zero-bias approximation to calculate electric current properties at finite bias. The results from this work could have an impact on the design of new single-molecule applications that use tunneling current or rectification applicable in high-sensitivity sensors, protein, or DNA sequencing.
PB  - MDPI, Basel
T2  - Nanomaterials
T1  - Predicting Finite-Bias Tunneling Current Properties from Zero-Bias Features: The Frontier Orbital Bias Dependence at an Exemplar Case of DNA Nucleotides in a Nanogap
IS  - 11
VL  - 11
DO  - 10.3390/nano11113021
ER  - 

@article{
author = "Djurišić, Ivana and Jovanović, Vladimir P. and Dražić, Miloš and Tomović, Aleksandar and Žikić, Radomir",
year = "2021",
abstract = "The electrical current properties of single-molecule sensing devices based on electronic (tunneling) transport strongly depend on molecule frontier orbital energy, spatial distribution, and position with respect to the electrodes. Here, we present an analysis of the bias dependence of molecule frontier orbital properties at an exemplar case of DNA nucleotides in the gap between H-terminated (3, 3) carbon nanotube (CNT) electrodes and its relation to transversal current rectification. The electronic transport properties of this simple single-molecule device, whose characteristic is the absence of covalent bonding between electrodes and a molecule between them, were obtained using density functional theory and non-equilibrium Green's functions. As in our previous studies, we could observe two distinct bias dependences of frontier orbital energies: the so-called strong and the weak pinning regimes. We established a procedure, from zero-bias and empty-gap characteristics, to estimate finite-bias electronic tunneling transport properties, i.e., whether the molecular junction would operate in the weak or strong pinning regime. We also discuss the use of the zero-bias approximation to calculate electric current properties at finite bias. The results from this work could have an impact on the design of new single-molecule applications that use tunneling current or rectification applicable in high-sensitivity sensors, protein, or DNA sequencing.",
publisher = "MDPI, Basel",
journal = "Nanomaterials",
title = "Predicting Finite-Bias Tunneling Current Properties from Zero-Bias Features: The Frontier Orbital Bias Dependence at an Exemplar Case of DNA Nucleotides in a Nanogap",
number = "11",
volume = "11",
doi = "10.3390/nano11113021"
}

Djurišić, I., Jovanović, V. P., Dražić, M., Tomović, A.,& Žikić, R.. (2021). Predicting Finite-Bias Tunneling Current Properties from Zero-Bias Features: The Frontier Orbital Bias Dependence at an Exemplar Case of DNA Nucleotides in a Nanogap. in Nanomaterials
MDPI, Basel., 11(11).
https://doi.org/10.3390/nano11113021

Djurišić I, Jovanović VP, Dražić M, Tomović A, Žikić R. Predicting Finite-Bias Tunneling Current Properties from Zero-Bias Features: The Frontier Orbital Bias Dependence at an Exemplar Case of DNA Nucleotides in a Nanogap. in Nanomaterials. 2021;11(11).
doi:10.3390/nano11113021 .

Djurišić, Ivana, Jovanović, Vladimir P., Dražić, Miloš, Tomović, Aleksandar, Žikić, Radomir, "Predicting Finite-Bias Tunneling Current Properties from Zero-Bias Features: The Frontier Orbital Bias Dependence at an Exemplar Case of DNA Nucleotides in a Nanogap" in Nanomaterials, 11, no. 11 (2021),
https://doi.org/10.3390/nano11113021 . .

TY  - JOUR
AU  - Djurišić, Ivana
AU  - Dražić, Miloš
AU  - Tomović, Aleksandar
AU  - Jovanović, Vladimir P.
AU  - Žikić, Radomir
PY  - 2021
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/1412
AB  - The requirement for controllable frontier orbital energy shift in single-molecule devices based on electronic (tunneling) transport yielded several rules for device design that lean on molecular level pinning to the electrochemical potential of nano-electrodes. We previously found that the pinning (designated as the strong pinning) was the consequence of the bias-induced molecular charge accumulation related to the hybridization of the highest occupied molecular orbital (HOMO) with one of the electrodes. However, in the wide bias range, only "partial" pinning (designated as the weak pinning) happens. In this work, we address the bias-induced shift of molecular orbitals in a weak pinning regime, where no hybridization or covalent bonds with electrodes exist. We found using density functional theory coupled with non-equilibrium Green's functions that the energy shift of frontier molecular orbitals of benzene and nicotine, placed between H-terminated (3, 3) CNTs, in weak pinning regime, is driven only by the electrostatic potential energy of an empty gap. For nicotine, whose HOMO and LUMO (lowest unoccupied molecular orbital) are located on different sides of the gap center, we show that the HOMO-LUMO energy gap changes with bias. We developed a theoretical model of a dielectric in a gap to depict this behavior. Application-wise, we expect that the weak pinning effect would be observable in novel single-molecule sensors based on electronic transport and molecular rectifying as long as the system exhibits a non-resonant behavior, and could serve for molecular gap tuning in single-molecule readout such as DNA, RNA and protein sequencing, or harmful single-molecule detection in gas phase.
PB  - Springer, Dordrecht
T2  - Journal of Nanoparticle Research
T1  - Electrostatically driven energy shift of molecular orbitals of benzene and nicotine in carbon nanotube gaps
IS  - 1
VL  - 23
DO  - 10.1007/s11051-021-05139-y
ER  - 

@article{
author = "Djurišić, Ivana and Dražić, Miloš and Tomović, Aleksandar and Jovanović, Vladimir P. and Žikić, Radomir",
year = "2021",
abstract = "The requirement for controllable frontier orbital energy shift in single-molecule devices based on electronic (tunneling) transport yielded several rules for device design that lean on molecular level pinning to the electrochemical potential of nano-electrodes. We previously found that the pinning (designated as the strong pinning) was the consequence of the bias-induced molecular charge accumulation related to the hybridization of the highest occupied molecular orbital (HOMO) with one of the electrodes. However, in the wide bias range, only "partial" pinning (designated as the weak pinning) happens. In this work, we address the bias-induced shift of molecular orbitals in a weak pinning regime, where no hybridization or covalent bonds with electrodes exist. We found using density functional theory coupled with non-equilibrium Green's functions that the energy shift of frontier molecular orbitals of benzene and nicotine, placed between H-terminated (3, 3) CNTs, in weak pinning regime, is driven only by the electrostatic potential energy of an empty gap. For nicotine, whose HOMO and LUMO (lowest unoccupied molecular orbital) are located on different sides of the gap center, we show that the HOMO-LUMO energy gap changes with bias. We developed a theoretical model of a dielectric in a gap to depict this behavior. Application-wise, we expect that the weak pinning effect would be observable in novel single-molecule sensors based on electronic transport and molecular rectifying as long as the system exhibits a non-resonant behavior, and could serve for molecular gap tuning in single-molecule readout such as DNA, RNA and protein sequencing, or harmful single-molecule detection in gas phase.",
publisher = "Springer, Dordrecht",
journal = "Journal of Nanoparticle Research",
title = "Electrostatically driven energy shift of molecular orbitals of benzene and nicotine in carbon nanotube gaps",
number = "1",
volume = "23",
doi = "10.1007/s11051-021-05139-y"
}

Djurišić, I., Dražić, M., Tomović, A., Jovanović, V. P.,& Žikić, R.. (2021). Electrostatically driven energy shift of molecular orbitals of benzene and nicotine in carbon nanotube gaps. in Journal of Nanoparticle Research
Springer, Dordrecht., 23(1).
https://doi.org/10.1007/s11051-021-05139-y

Djurišić I, Dražić M, Tomović A, Jovanović VP, Žikić R. Electrostatically driven energy shift of molecular orbitals of benzene and nicotine in carbon nanotube gaps. in Journal of Nanoparticle Research. 2021;23(1).
doi:10.1007/s11051-021-05139-y .

Djurišić, Ivana, Dražić, Miloš, Tomović, Aleksandar, Jovanović, Vladimir P., Žikić, Radomir, "Electrostatically driven energy shift of molecular orbitals of benzene and nicotine in carbon nanotube gaps" in Journal of Nanoparticle Research, 23, no. 1 (2021),
https://doi.org/10.1007/s11051-021-05139-y . .

TY  - JOUR
AU  - Djurišić, Ivana
AU  - Dražić, Miloš
AU  - Tomović, Aleksandar
AU  - Spasenović, Marko
AU  - Šljivančanin, Zeljko
AU  - Jovanović, Vladimir P.
AU  - Žikić, Radomir
PY  - 2021
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/1405
AB  - Functionalization of electrodes is a wide-used strategy in various applications ranging from single-molecule sensing and protein sequencing, to ion trapping, to desalination. We demonstrate, employing non-equilibrium Green ' s function formalism combined with density functional theory, that single-species (N, H, S, Cl, F) termination of graphene nanogap electrodes results in a strong in-gap electrostatic field, induced by species-dependent dipoles formed at the electrode ends. Consequently, the field increases or decreases electronic transport through a molecule (benzene) placed in the nanogap by shifting molecular levels by almost 2 eV in respect to the electrode Fermi level via a field effect akin to the one used for field-effect transistors. We also observed the local gating in graphene nanopores terminated with different single-species atoms. Nitrogen-terminated nanogaps (NtNGs) and nanopores (NtNPs) show the strongest effect. The in-gap potential can be transformed from a plateau-like to a saddle-like shape by tailoring NtNG and NtNP size and termination type. In particular, the saddle-like potential is applicable in single-ion trapping and desalination devices.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
EP  - 341
IS  - 3
SP  - 336
VL  - 22
DO  - 10.1002/cphc.202000771
ER  - 

@article{
author = "Djurišić, Ivana and Dražić, Miloš and Tomović, Aleksandar and Spasenović, Marko and Šljivančanin, Zeljko and Jovanović, Vladimir P. and Žikić, Radomir",
year = "2021",
abstract = "Functionalization of electrodes is a wide-used strategy in various applications ranging from single-molecule sensing and protein sequencing, to ion trapping, to desalination. We demonstrate, employing non-equilibrium Green ' s function formalism combined with density functional theory, that single-species (N, H, S, Cl, F) termination of graphene nanogap electrodes results in a strong in-gap electrostatic field, induced by species-dependent dipoles formed at the electrode ends. Consequently, the field increases or decreases electronic transport through a molecule (benzene) placed in the nanogap by shifting molecular levels by almost 2 eV in respect to the electrode Fermi level via a field effect akin to the one used for field-effect transistors. We also observed the local gating in graphene nanopores terminated with different single-species atoms. Nitrogen-terminated nanogaps (NtNGs) and nanopores (NtNPs) show the strongest effect. The in-gap potential can be transformed from a plateau-like to a saddle-like shape by tailoring NtNG and NtNP size and termination type. In particular, the saddle-like potential is applicable in single-ion trapping and desalination devices.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene",
pages = "341-336",
number = "3",
volume = "22",
doi = "10.1002/cphc.202000771"
}

Djurišić, I., Dražić, M., Tomović, A., Spasenović, M., Šljivančanin, Z., Jovanović, V. P.,& Žikić, R.. (2021). Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 22(3), 336-341.
https://doi.org/10.1002/cphc.202000771

Djurišić I, Dražić M, Tomović A, Spasenović M, Šljivančanin Z, Jovanović VP, Žikić R. Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene. in Chemphyschem. 2021;22(3):336-341.
doi:10.1002/cphc.202000771 .

Djurišić, Ivana, Dražić, Miloš, Tomović, Aleksandar, Spasenović, Marko, Šljivančanin, Zeljko, Jovanović, Vladimir P., Žikić, Radomir, "Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene" in Chemphyschem, 22, no. 3 (2021):336-341,
https://doi.org/10.1002/cphc.202000771 . .

TY  - JOUR
AU  - Djurišić, Ivana
AU  - Dražić, Miloš
AU  - Tomović, Aleksandar
AU  - Spasenović, Marko
AU  - Sljivancanin, Zeljko
AU  - Jovanović, Vladimir P.
AU  - Žikić, Radomir
PY  - 2020
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/1346
AB  - Fast, reliable, and inexpensive DNA sequencing is an important pursuit in healthcare, especially in personalized medicine with possible deep societal impacts. Despite significant progress in various nanopore-based sequencing configurations, challenges that remain in resolution and chromosome-size-long readout call for new approaches. Here we found strong rectification in the transversal current during single-stranded DNA translocation through a nanopore with side-embedded N-terminated carbon nanotube electrodes. Employing density functional theory and nonequilibrium Green's function formalisms, we show that the rectifying ratio (response to square pulses of alternating bias) bears high nucleobase specificity. Rectification arises because of bias-dependent resistance asymmetry on the deoxyribonucleotide-electrode interfaces. The asymmetry induces molecular charging and highest occupied molecular orbital pinning to the electrochemical potential of one of the electrodes, assisted by an in-gap electric-field effect caused by dipoles at the terminated electrode ends. We propose the rectifying ratio, due to its order-of-magnitude-difference nucleobase selectivity and robustness to electrode-molecule orientation, as a promising readout quantifier for single-base resolution and chromosome-size-long single-read DNA sequencing. The proposed configurations are within experimental reach from the viewpoint of both nanofabrication and small current measurement.
PB  - Amer Chemical Soc, Washington
T2  - Acs Applied Nano Materials
T1  - DNA Sequencing with Single-Stranded DNA Rectification in a Nanogap Gated by N-Terminated Carbon Nanotube Electrodes
EP  - 3043
IS  - 3
SP  - 3034
VL  - 3
DO  - 10.1021/acsanm.0c00385
ER  - 

@article{
author = "Djurišić, Ivana and Dražić, Miloš and Tomović, Aleksandar and Spasenović, Marko and Sljivancanin, Zeljko and Jovanović, Vladimir P. and Žikić, Radomir",
year = "2020",
abstract = "Fast, reliable, and inexpensive DNA sequencing is an important pursuit in healthcare, especially in personalized medicine with possible deep societal impacts. Despite significant progress in various nanopore-based sequencing configurations, challenges that remain in resolution and chromosome-size-long readout call for new approaches. Here we found strong rectification in the transversal current during single-stranded DNA translocation through a nanopore with side-embedded N-terminated carbon nanotube electrodes. Employing density functional theory and nonequilibrium Green's function formalisms, we show that the rectifying ratio (response to square pulses of alternating bias) bears high nucleobase specificity. Rectification arises because of bias-dependent resistance asymmetry on the deoxyribonucleotide-electrode interfaces. The asymmetry induces molecular charging and highest occupied molecular orbital pinning to the electrochemical potential of one of the electrodes, assisted by an in-gap electric-field effect caused by dipoles at the terminated electrode ends. We propose the rectifying ratio, due to its order-of-magnitude-difference nucleobase selectivity and robustness to electrode-molecule orientation, as a promising readout quantifier for single-base resolution and chromosome-size-long single-read DNA sequencing. The proposed configurations are within experimental reach from the viewpoint of both nanofabrication and small current measurement.",
publisher = "Amer Chemical Soc, Washington",
journal = "Acs Applied Nano Materials",
title = "DNA Sequencing with Single-Stranded DNA Rectification in a Nanogap Gated by N-Terminated Carbon Nanotube Electrodes",
pages = "3043-3034",
number = "3",
volume = "3",
doi = "10.1021/acsanm.0c00385"
}

Djurišić, I., Dražić, M., Tomović, A., Spasenović, M., Sljivancanin, Z., Jovanović, V. P.,& Žikić, R.. (2020). DNA Sequencing with Single-Stranded DNA Rectification in a Nanogap Gated by N-Terminated Carbon Nanotube Electrodes. in Acs Applied Nano Materials
Amer Chemical Soc, Washington., 3(3), 3034-3043.
https://doi.org/10.1021/acsanm.0c00385

Djurišić I, Dražić M, Tomović A, Spasenović M, Sljivancanin Z, Jovanović VP, Žikić R. DNA Sequencing with Single-Stranded DNA Rectification in a Nanogap Gated by N-Terminated Carbon Nanotube Electrodes. in Acs Applied Nano Materials. 2020;3(3):3034-3043.
doi:10.1021/acsanm.0c00385 .

Djurišić, Ivana, Dražić, Miloš, Tomović, Aleksandar, Spasenović, Marko, Sljivancanin, Zeljko, Jovanović, Vladimir P., Žikić, Radomir, "DNA Sequencing with Single-Stranded DNA Rectification in a Nanogap Gated by N-Terminated Carbon Nanotube Electrodes" in Acs Applied Nano Materials, 3, no. 3 (2020):3034-3043,
https://doi.org/10.1021/acsanm.0c00385 . .