Physics Commons^™

Capturing The Generation And Structural Transformations Of Molecular Ions, Jun Heo, Doeyeong Kim, Alekos Segalina, Hosung Ki, Doo-Sik Ahn, Seonggon Lee, Jungmin Kim, Yongjun Cha, Kyung Won Lee, Jie Yang, J. Pedro F. Nunes, Xijie Wang, Hyotcherl Ihee

Department of Physics and Astronomy: Faculty Publications

Molecular ions are ubiquitous and play pivotal roles^1–3 in many reactions, particularly in the context of atmospheric and interstellar chemistry^4–6. However, their structures and conformational transitions^7,8, particularly in the gas phase, are less explored than those of neutral molecules owing to experimental difficulties. A case in point is the halonium ions^9–11, whose highly reactive nature and ring strain make them short-lived intermediates that are readily attacked even by weak nucleophiles and thus challenging to isolate or capture before they undergo further reaction. Here we show that megaelectronvolt ultrafast electron diffraction (MeV-UED)^12–14, …

Exploring Non-Orientable Topology: Deriving The Poincaré Conjecture And Possibility Of Experimental Vindication With Liquid Crystal, Victor Christianto, Florentin Smarandache

Branch Mathematics and Statistics Faculty and Staff Publications

This review investigates the potential of non-orientable topology as a fundamental framework for understanding the Poincaré conjecture and its implications across various scientific disciplines. Integrating insights from Dokuchaev (2020), Rapoport, Christianto, Chandra, Smarandache (under review), and other pioneering works, this article explores the theoretical foundations linking non-orientable spaces to resolving the Poincaré conjecture and its broader implications in theoretical physics, geology, cosmology, and biology.

Prediction Of Giant Tunneling Magnetoresistance In Ruo2/Tio2/Ruo2 (110) Antiferromagnetic Tunnel Junctions, Yuan-Yuan Jiang, Zi-An Wang, Kartik Samanta, Shu-Hui Zhang, Rui-Chun Xiao, W. J. Lu, Y. P. Sun, Evgeny Y. Tsymbal, Ding-Fu Shao

Department of Physics and Astronomy: Faculty Publications

Using first-principles quantum-transport calculations, we investigate spin-dependent electronic and transport properties of antiferromagnetic tunnel junctions (AFMTJs) that consist of (110)-oriented antiferromagnetic (AFM) metal RuO₂ electrodes and an insulating TiO₂ tunneling barrier. We predict the emergence of a giant tunneling magnetoresistance (TMR) effect in a wide energy window, a series of barrier layer thicknesses, and different interface terminations, indicating the robustness of this effect. We show that the predicted TMR cannot be explained in terms of the global transport spin-polarization of RuO₂ (110) but is well understood based on matching the momentum-dependent spin-polarized conduction channels of the two …

Acoustically Levitated Whispering-Gallery Mode Microlasers, H. M. Reynoso-De La Cruz, E. D. Hernández-Campos, E. Ortiz-Ricardo, A. Martínez-Borquez, I. Rosas-Román, V. Contreras, G. Ramos-Ortiz, B. Mendoza-Santoyo, Cecilia Zurita-Lopez, R. Castro-Beltrán

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Acoustic levitation has become a crucial technique for contactless manipulation in several fields, particularly in biological applications. However, its application in the photonics field remains largely unexplored. In this study, we implement an affordable and innovative phased-array levitator that enables stable trapping in the air of micrometer dye-doped droplets, thereby enabling the creation of microlasers. For the first time, this paper presents a detailed performance of the levitated microlaser cavity, supported by theoretical analysis concerning the hybrid technology based on the combination of whispering-gallery modes and acoustic fields. The pressure field distribution inside the acoustic cavity is numerically solved and …

Analytic Distribution Of The Optimal Cross-Correlation Statistic For Stochastic Gravitational-Wave-Background Searches Using Pulsar Timing Arrays, ‪Jeffrey S. Hazboun, Patrick M. Meyers, Joseph D. Romano, Xavier Siemens, Anne M. Archibald

Physics & Astronomy Faculty Publications

We show via both analytical calculation and numerical simulation that the optimal cross-correlation statistic (OS) for stochastic gravitational-wave-background (GWB) searches using data from pulsar timing arrays follows a generalized chi-squared (GX2) distribution—i.e., a linear combination of chi-squared distributions with coefficients given by the eigenvalues of the quadratic form defining the statistic. This observation is particularly important for calculating the frequentist statistical significance of a possible GWB detection, which depends on the exact form of the distribution of the OS signal-to-noise ratio ρˆ ≡ Aˆ 2 gw=σ0 in the absence of GW-induced cross correlations (i.e., the null distribution). Previous discussions of …

Dynamics And Scaling Of Particle Streaks In High-Reynolds-Number Turbulent Boundary Layers, Tim Berk, Filippo Coletti

Mechanical and Aerospace Engineering Faculty Publications

Inertial particles in wall-bounded turbulence are known to form streaks, but experimental evidence and predictive understanding of this phenomenon is lacking, especially in regimes relevant to atmospheric flows. We carry out wind tunnel measurements to investigate this process, characterizing the transport of microscopic particles suspended in turbulent boundary layers. The friction Reynolds number Re_𝜏 = O(10⁴) allows for significant scale separation and the emergence of large-scale motions, while the range of viscous Stokes number St⁺ = 18–870 is relevant to the transport of dust and fine sand in the atmospheric surface layer. We …

A Comparative Study On The Rheological Properties Of Upper Convected Maxwell Fluid Along A Permeable Stretched Sheet, Sara I. Abdelsalam, W. Abbas, A. M. Megahed, A. M. Said

Basic Science Engineering

The objective of this paper is to examine the flow of a non-Newtonian Maxwell fluid induced by a permeable stretching sheet in motion within a porous medium. The research incorporates the Cattaneo-Christov heat flux model to study the heat transfer process. The utilization of the Cattaneo-Christov heat flux approach becomes relevant in scenarios involving materials with high thermal conductivity or during short time intervals. Consequently, the current investigation holds significant importance. It is assumed that the viscosity of the Maxwell fluid changes exponentially as the temperature changes. The modeling of the physical phenomena being investigated takes into account the effects …

Enhanced Luminescence Efficiency In Eu-Doped Gan Superlattice Structures Revealed By Terahertz Emission Spectroscopy, Fumikazu Murakami, Atsushi Takeo, Brandon Mitchell, Volkmar Dierolf, Yasufumi Fujiwara, Masayoshi Tonouchi

Physics & Engineering Faculty Publications

Eu-doped Gallium nitride (GaN) is a promising candidate for GaN-based red light-emitting diodes, which are needed for future micro-display technologies. Introducing a superlattice structure comprised of alternating undoped and Eu-doped GaN layers has been observed to lead to an order-of-magnitude increase in output power; however, the underlying mechanism remains unknown. Here, we explore the optical and electrical properties of these superlattice structures utilizing terahertz emission spectroscopy. We find that ~0.1% Eu doping reduces the bandgap of GaN by ~40 meV and increases the index of refraction by ~20%, which would result in potential barriers and carrier confinement within a superlattice …

Modeling And Analysis Of The Selective Lightning Strike Phenomenon At Locations In A Chemical Manufacturing Plant, Terver Maor

Doctoral Dissertations

This research was motivated by the overly simplified claims, from a previous study, that attempted to explain the cause of the reportedly repeated lightning strikes at certain locations in the chemical manufacturing plant. The findings, without any model, claimed that the electronic monitoring and control devices’ fire damage occurred, due to the raised electrical ground potential during lightning strikes. It proceeded that the raised electrical ground potential caused a power flow reversal, which exceeded the ratings of the affected electronic control modules, damaging them. This claim is inconsistent with published research work in the failure mechanisms of industrial control systems, …

Search For Evidence Of Baryogenesis And Dark Matter In B+→Ψd+P Decays At Babar, J. P. Lees, V. Poireau, E. Grauges, A. Palano, G. Eigen, D. N. Brown, Yu. G. Kolomensky, M. Fritsch, H. Koch, R. Cheaib, C. Hearty, T. S. Mattison, J. A. Mckenna, R. Y. So, V. E. Blinov, A. R. Buzykaev, V. P. Druzhinin, E. A. Kravchenko, Milind Purohit, Et. Al.

Faculty Publications

A new dark sector antibaryon, denoted ψD, could be produced in decays of B mesons. This Letter presents a search for B⁺→ψ_D+p (and the charge conjugate) decays in e⁺e⁻ annihilations at 10.58 GeV, using data collected in the BABAR experiment. Data corresponding to an integrated luminosity of 398 fb⁻¹ are analyzed. No evidence for a signal is observed. Branching fraction upper limits in the range from 10⁻⁷–10⁻⁵ are obtained at 90% confidence level for masses of 1.0<mψ_D< 4.3 GeV/c². The result is also reinterpreted to provide …

Assessing The Robustness Of Sound Horizon-Free Determinations Of The Hubble Constant, Tristan L. Smith, V. Poulin, T. Simon

Physics & Astronomy Faculty Works

The Hubble tension can be addressed by modifying the sound horizon (r_s) before recombination, triggering interest in early universe estimates of the Hubble constant, H₀, independent of r_s. Constraints on H₀ from an r_s-free analysis of the full shape BOSS galaxy power spectra within Λ CDM were recently reported and used to comment on the viability of physics beyond Λ CDM. Here we demonstrate that r_s-free analyses with current data depend on both the model and the priors placed on the cosmological parameters, such that Λ CDM analyses …

Detailed Characterization Of A Khz-Rate Laser-Driven Fusion At A Thin Liquid Sheet With A Neutron Detection Suite, Benjamin M. Knight, Connor M. Gautam, Colton R. Stoner, Bryan V. Egner, Joseph R. Smith, Christopher M. Orban, Juan J. Manfredi, Kyle Frische, Michael L. Dexter, Enam A. Chowdury, Anil K. Patnaik

Faculty Publications

We present detailed characterization of laser driven fusion and neutron production (∼10⁵/second) employing 8 mJ, 40fs laser pulses on a thin (< 1 µm) D₂O liquid sheet employing a measurement suite. At relativistic intensity (∼5×10¹⁸W/cm²) and high repetition-rate (1 kHz), the system produces consistent D-D fusion, allowing for consistent neutron generation. Evidence of D-D fusion neutron production is verified b y a measurement suite with three independent detection systems: an EJ-309 organic scintillator with pulse-shape discrimination, a ³He proportional counter, and a set of 36 bubble detectors. Time-of-flight analysis of the scintillator data shows …

Perovskite Cspbbr3 Solar Cells With Novel Hole-Transporting Layer Of Metal Complexes, Liqiu Zheng, Evynn S. Jackson, Ny'kesha S. Warren, Robert Owor, Zhongrui Li

Georgia Journal of Science

For the first time, the novel application of Schiff-base copper complexes in all-inorganic perovskite CsBrBr₃ solar cells has been explored and turns out they could be utilized as effective hole-transporting materials. Schiff-base copper complexes with halogen ligands (R=Cl and Br) are synthesized with an ease approach at a low cost, both of which exhibit decent power conversion efficiency of 4.55% and 5.71%, respectively, when being constructed into solar devices as hole transport layers. Thanks to high thermal/chemical stability of those Schiff-base metal complexes, the strengthened stability was achieved which is comparable to that of carbon-based CsBrBr₃ solar cells. …

Coastal Bathymetry Of Uae Using Satellite-Based Remote Sensing Data, Naser Salem Aldahmani

Thesis/ Dissertation Defenses

The thesis focuses on studying coastal bathymetry in the United Arab Emirates using satellite images. Developing a coastal bathymetry map in the coastal areas of the United Arab Emirates using optical satellite data and analyzing quality and accuracy. Multiple algorithms are used to draw these maps, and the project involves using the linear scale ratio to derive bathymetry in areas such as Fujairah Port and Dalma Island using Sentinel-2 images. Multiple tools in the SNAP application platform were used to perform these operations, including atmospheric correction, resampling, ground masking, sunshine removal, and dark object subtraction. Finally, the Sen2coral plugin was …

Measurement Of Additional Radiation In The Initial-State-Radiation Processes E+E- →Μ+Μ- Y And E+E- → ℼ+ℼ- Y At Babar, J. P. Lees, V. Poireau, V. Tisserand, E. Grauges, A. Palano, G. Eigen, D. N. Brown, Yu. G. Kolomensky, M. Fritsch, H. Koch, R. Cheaib, C. Hearty, T. S. Mattison, J. A. Mckenna, R. Y. So, V. E. Blinov, A. R. Buzykaev, V. P. Druzhinin, E. A. Kozyrev, Milind Purohit, Et. Al.

Faculty Publications

A dedicated measurement of additional radiation in e⁺e⁻ → µ⁺µ⁻γ and e⁺e⁻ → π⁺π⁻γ initial-state-radiation events is presented using the full BABAR data sample. For the first time results are presented at next-to- and next-to-next-to-leading order, with one and two additional photons, respectively, for radiation from the initial and final states. Comparison with predictions from PHOKHARA and AFKQED Monte Carlo generators is performed, revealing discrepancies in the one-photon rates and angular distributions for the former. This disagreement has a negligible effect on the BABAR measurement of …

Development Of Antibacterial Neural Stimulation Electrodes Via Hierarchical Surface Restructuring And Atomic Layer Deposition., Henna Khosla, Wesley Seche, Daniel Ammerman, Sahar Elyahoodayan, Gregory A. Caputo, Jeffrey Hettinger, Shahram Amini, Gang Feng

College of Science & Mathematics Departmental Research

Miniaturization and electrochemical performance enhancement of electrodes and microelectrode arrays in emerging long-term implantable neural stimulation devices improves specificity, functionality, and performance of these devices. However, surgical site and post-implantation infections are amongst the most devastating complications after surgical procedures and implantations. Additionally, with the increased use of antibiotics, the threat of antibiotic resistance is significant and is increasingly being recognized as a global problem. Therefore, the need for alternative strategies to eliminate post-implantation infections and reduce antibiotic use has led to the development of medical devices with antibacterial properties. In this work, we report on the development of electrochemically …

Ab-Initio Investigation Of Transition Metal Dichalcogenide Monolayer For Optoelectronic, Gas-Sensing, Information- And Energy-Storage Applications, Wadha Khalifa Al Falasi

Thesis/ Dissertation Defenses

The research focuses on Transition Metal Dichalcogenide Monolayers (TMD-MLs), a unique class of 2D materials known for their outstanding properties. These properties position them as promising candidates for various applications. This study primarily concentrates on the use of TMD-MLs for these applications, in addition to the exploration of MXene (Ti3C2Tx) for the detection of lung cancer biomarkers. To ensure accuracy, the research employs two computational methods: VASP for electronic and magnetic properties and ATK for large system transport properties.

1. In the realm of Optoelectronics, TMD-MLs offer opportunities for advanced light control technologies. The study delves into band gap engineering, crucial …

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Measuring Jupiter’S Wind From Cassini Spacecraft Observations, Malak Ali Nazmi

Thesis/ Dissertation Defenses

The Jupiter’s atmosphere has remarkable features like Great Red Spot, and strong dynamic events takes place on its atmosphere for hundreds of years. We have a set 280 images of Cassini spacecraft December 2000 of southern and northern hemisphere of Jupiter planet which were taken by four distinct filters with a wide range of wavelengths extending from 455 nm to 889 nm to study the Great Red Spot dynamics and measure the velocity fields using Correlation Imaging Velocimetry technique. To understand the mechanism of energy transfer between eddies and jets which governs the Jupiter’s atmosphere for a long time, it …

Employing A Fractional Basis Set To Solve Nonlinear Multidimensional Fractional Differential Equations, Md. Habibur Rahman, Muhammad I. Bhatti, Nicholas Dimakis

Physics & Astronomy Faculty Publications

Fractional-order partial differential equations have gained significant attention due to their wide range of applications in various fields. This paper employed a novel technique for solving nonlinear multidimensional fractional differential equations by means of a modified version of the Bernstein polynomials called the Bhatti-fractional polynomials basis set. The method involved approximating the desired solution and treated the resulting equation as a matrix equation. All fractional derivatives are considered in the Caputo sense. The resulting operational matrix was inverted, and the desired solution was obtained. The effectiveness of the method was demonstrated by solving two specific types of nonlinear multidimensional fractional …

Radio Emission From Low Mass Active Galactic Nuclei, Ammara Aftab

Thesis/ Dissertation Defenses

Massive black holes of a few million to billion solar masses lurk at the centers of the most present-day massive galaxies but their origin is still unknown. The low mass galaxies (M* ~ 3x10⁹ M_ʘ ) hosting black holes with masses ranging from 10³ to 10⁵ M_ʘ are ideal laboratories to test the models of black hole formation and they may help in understanding the coevolution of central black holes with their host galaxies. In this thesis, we have developed a detailed theoretical model/framework to estimate the radio emission from low mass active galactic nuclei …

Commissioning Of The Uaeu Radio Array And Pilot Low-Frequency Radio Astronomy Studies, Aisha Ali Alnaqbi

Thesis/ Dissertation Defenses

As part of the UAEU Radio Astronomy Pathway Project, a 256-element Ground-based Radio Array Facility was deployed at the UAEU. A comprehensive exploration of radio astronomy, and investigations on existing radio arrays, emphasizing low-frequency radio signals and the challenges faced at this range, are crucial for the commissioning phase of the array. A core aspect discussed is the vital role of coaxial cables in preserving the integrity of low-frequency radio signals. To address the electrical length differences between the coaxial cable pairs used to connect the array’s beamformers in the field to the beamformer controllers in the control room, precise …

Electrical, Optical, And Thermal Properties Of Snse-Based Materials With High Thermoelectric Performances, Najwa Qasem Al Bouzieh

Thesis/ Dissertation Defenses

This thesis conducts a thorough exploration of the characteristics and prospective applications of Tin Selenide (SnSe), a pivotal semiconductor for advancing contemporary electronics and optoelectronics. The investigation mainly focuses on comprehending the alterations in SnSe's properties when doped with elements such as Hafnium, Zinc, Bismuth, Germanium, Sodium, Iodine, and Silicon. 2D-SnSe allotropes, when doped with Hafnium, have exhibited remarkable optical characteristics, especially in the δ-SnSe allotrope, rendering it adaptable for varied optical uses like solar cells and LEDs. Additionally, evaluations of elasticity show improved resilience and augmented in-plane stiffness owing to Hf doping, occasionally reducing ductility. The work uniquely emphasizes …

Influence Of Thickness And Capping Materials On The Static And Dynamic Properties Of Ferrimagnetic Thin Films, Noha Alzahrani

USF Tampa Graduate Theses and Dissertations

Spintronics traditionally relied on ferromagnetic materials for their strong spin properties but facedissues like large stray magnetic fields. To address these challenges, researchers turned to antiferromagnetic materials with fast spin dynamics, due to their zero net magnetic moment but the lack of a net spin moment complicated operation. In this context, ferrimagnetic materials have emerged as promising alternatives. They combine ferromagnetic and antiferromagnetic traits and feature different magnetic ions in their sublattices. This dissertation explores how film thickness and capping materials affect the properties of ferrimagnetic thin films. Rare-earth transition metal ferrimagnetic amorphous alloys have garnered attention in the realm …

Relativistic Ultrafast Electron Diffraction At High Repetition Rates, K. M. Siddiqui, D. B. Durham, F. Cropp, F. Ji, S. Paiagua, C. Ophus, N. C. Andresen, L. Jin, J. Wu, S. Wang, X. Zhang, W. You, M. Murnane, Martin Centurion, X. Wang, D. S. Slaughter, R. A. Kaindl, P. Musumeci, A. M. Minor, D. Filippetto

Martin Centurion Publications

The ability to resolve the dynamics of matter on its native temporal and spatial scales constitutes a key challenge and convergent theme across chemistry, biology, and materials science. The last couple of decades have witnessed ultrafast electron diffraction (UED) emerge as one of the forefront techniques with the sensitivity to resolve atomic motions. Increasingly sophisticated UED instruments are being developed that are aimed at increasing the beam brightness in order to observe structural signatures, but so far they have been limited to low average current beams. Here, we present the technical design and capabilities of the HiRES (High Repetition-rate Electron …

Weak Measurements And Quantum-To-Classical Transitions In Free Electron–Photon Interactions, Yiming Pan, Eliahu Cohen, Ebrahim Karimi, Avraham Gover, Norbert Schönenberger, Tomáš Chlouba, Kangpeng Wang, Saar Nehemia, Peter Hommelhoff, Ido Kaminer, Yakir Aharonov

Mathematics, Physics, and Computer Science Faculty Articles and Research

How does the quantum-to-classical transition of measurement occur? This question is vital for both foundations and applications of quantum mechanics. Here, we develop a new measurement-based framework for characterizing the classical and quantum free electron–photon interactions and then experimentally test it. We first analyze the transition from projective to weak measurement in generic light–matter interactions and show that any classical electron-laserbeam interaction can be represented as an outcome of weak measurement. In particular, the appearance of classical point-particle acceleration is an example of an amplified weak value resulting from weak measurement. A universal factor, exp(-Γ²/2) , quantifies the …

Wide Range Thin-Film Ceramic Metal-Alloy Thermometers With Low Magnetoresistance, Nathanael Fortune, Joyce E. Palmer-Fortune, A. Trainer, A. Bangura, N. Kondedan, A. Rydh

Physics: Faculty Publications

Many thermal measurements in high magnetic fields require thermometers that are sensitive over a wide temperature range, are low mass, have a rapid thermal response, and have a minimal, easily correctable magnetoresistance. Here we report the development of a new granular-metal oxide ceramic composite (cermet) for this purpose formed by co-sputtering of the metallic alloy nichrome Ni0.8Cr0.2 and the insulator silcon dioxide SiO2. The resulting thin films are sensitive enough to be used from room temperature down to below 100 mK in magnetic fields up to at least 35 tesla.

Effect Of Hf Alloying On Magnetic, Structural, And Magnetostrictive Properties In Feco Films For Magnetoelectric Heterostructure Devices, Thomas Mion, Margo Staruch, Konrad Bussmann, Goran Karapetrov, Olaf Van 'T Erve, Sara Mills, Heonjune Ryou, Ramasis Goswami, Patrick G. Callahan, David J. Rowenhorst, Syed B. Qadri, Samuel Lofland, Peter Finkel

College of Science & Mathematics Departmental Research

Materials with high magnetoelectric coupling are attractive for use in engineered multiferroic heterostructures with applications such as ultra-low power magnetic sensors, parametric inductors, and non-volatile random-access memory devices. Iron-cobalt alloys exhibit both high magnetostriction and high saturation magnetization that are required for achieving significantly higher magnetoelectric coupling. We report on sputter-deposited (Fe0.5Co0.5)1-xHfx (x = 0 - 0.14) alloy thin films and the beneficial influence of Hafnium alloying on the magnetic and magnetostrictive properties. We found that co-sputtering Hf results in the realization of the peening mechanism that drives film stress from highly tensile to slightly compressive. Scanning electron microscopy and …

System-Level Noise Performance Of Coherent Imaging Systems, Derek J. Burrell, Joshua H. Follansbee, Mark F. Spencer, Ronald G. Driggers

Faculty Publications

We provide an in-depth analysis of noise considerations in coherent imaging, accounting for speckle and scintillation in addition to “conventional” image noise. Specifically, we formulate closed-form expressions for total effective noise in the presence of speckle only, scintillation only, and speckle combined with scintillation. We find analytically that photon shot noise is uncorrelated with both speckle and weak-to-moderate scintillation, despite their shared dependence on the mean signal. Furthermore, unmitigated speckle and scintillation noise tends to dominate coherent-imaging performance due to a squared mean-signal dependence. Strong coupling occurs between speckle and scintillation when both are present, and we characterize this behavior …

Contributions Of Tunneling In 8Π-6Π Electrocyclic Cascade Reactions Of Bicyclo[4.2.0]Octa-2,4-Diene Moieties, Ishika Jain, Claire Castro, William L. Karney

Featured Student Work

Six-electron electrocyclic reactions usually require relatively high temperatures; however recent research has shown that such reactions can occur at significantly lower temperatures in biosynthetic and biomimetic pathways. Pathways resulting in bicyclo[4.2.0]octa-2,4-diene moieties arise from thermally allowed 8π-6π electrocyclization cascade reactions of 1,3,5,7-octatetraenes, as in the biosynthesis of endiandric acids, elysiapyrones, and numerous other natural products. We report multidimensional tunneling calculations to explore the possible contribution of heavy-atom tunneling (e.g. by carbon) to biosynthetic pathways and biomimetic syntheses, and thus to provide a more complete picture of biochemical kinetics. M06-2X/cc-pVDZ calculations on the 8π-6π cascade cyclizations of methylated octatetraene model systems …

Identification Of Selected Persistent Organic Pollutants In Agricultural Land By Carbon Nitride (C3n5) Based Nano Sensors, Puspamitra Panigrahi, P. S. Anuroop, Hoonkyung Lee, Hyeonhu Bae, Thanayut Kaewmaraya, Ravindra Pandey, Tanveer Hussain, Akshaya Panigrahi

Michigan Tech Publications

Efficient detection of selected persistent organic pollutants (POPs) is extremely important for the safety of humans and for the moderation of agriculture. This calls for the design of versatile nanosensors capable of sensing toxic POPs with high sensitivity and selectivity. Inspired by this, the sensing characteristics of carbon nitride (C3N5) monolayers toward selected POPs are reported, such as Dichlorodiphenyltrichloroethane (DDT), Methoxychlor (DMDT), Fenthion (FT), Fenitrothion (FNT), and Rennol (RL), employing density functional theory calculations. Analysis of results predicts adsorption energies of −0.93, −1.55, −1.44, −0.98, and −1.15 eV for DDT, DMDT, FT, FNT, and RM, respectively, on C3N5 monolayers. Significant …