Electronic Transport Properties Research Articles

Interstitials in Thermoelectrics.

Defect structure is pivotal in advancing thermoelectric performance with interstitials being widely recognized for their remarkable roles in optimizing both phonon and electron transport properties. Diverse interstitial atoms are identified in previous works according to their distinct roles and can be classified into rattling interstitial, decoupling interstitial, interlayer interstitial, dynamic interstitial, and liquid interstitial. Specifically, rattling interstitial can cause phonon resonance in cage compound to scatter phonon transport; decoupling interstitial can contribute to phonon blocking and electron transport due to their significantly different mean free paths; interlayer interstitial can facilitate out-of-layer electron transport in layered compounds; dynamic interstitial can tune temperature-dependent carrier density and optimize electrical transport properties at wide temperatures; liquid interstitial could improve the carrier mobility at homogeneous dispersion state. All of these interstitials have positive impact on thermoelectric performance by adjusting transport parameters. This perspective therefore intends to provide a thorough overview of advances in interstitial strategy and highlight their significance for optimizing thermoelectric parameters. Finally, the profound potential for extending interstitial strategy to various other thermoelectric systems is discussed and some future directions in thermoelectric material are also outlined.

Observing the Role of Electron Delocalization in Electronic Transport by Incorporating Actinides into Ligated Metal-Chalcogenide Superatoms.

Since delocalization of electronic states is a prerequisite for exerting unique electron transport properties, early actinides (An) with highly delocalized 5f/6d orbitals are natural candidates. However, given the experimental difficulties of such radioactive compounds and the complex relativistic effects in theoretical studies, understanding the electronic structure and bonding of actinides is underdeveloped on the periodic table. A further challenge is the very complicated electronic structures encountered in the confinement of actinides, as vividly illustrated by the weakly radioactive Th(Thorium)-encapsulated metal chalcogenide clusters, Th@Co6Te8L6 (L = PH3, PMe3, PEt3). Here we report the electronic structure and the electron transport properties of the Th@Co6Te8L6 clusters and compare them with those of the hollow Co6Te8L6 clusters using the nonequilibrium Green's function combined with relativistic density functional theory (NEGF-DFT). We found that the equilibrium conductance in Th@Co6Te8(PH3)6 (0.76 G0) has been greatly improved over that in Co6Te8(PH3)6 (0.03 G0), which has also been verified under an applied different bias voltage. The covalent bonding character between 6d (Th) and 3d (Co) atomic orbitals resulting from steric confinement is the source of the performance enhancement and a most important factor governing the accessibility of such 5f/6d orbitals. The results are of significance to the rapidly developing field of molecular nanoelectronics.

CuInS2/Red Phosphorus Nanosheet Interleaved Heterostructures with Improved Interfacial Charge Transfer for Photoelectrochemical Aptasensing.

Accelerating the migration of interfacial carriers in heterojunctions is crucial for achieving highly sensitive photoelectrochemical (PEC) sensing. In this study, we developed three-dimensional (3D)/two-dimensional (2D) CuInS2/red phosphorus nanosheet (CuInS2/RP NS) n-n heterojunction functional materials with enhanced interfacial charge transfer capabilities for PEC sensing. The 3D CuInS2 serves as a conductive layer, providing excellent electronic conductivity and superior electron absorption and transport properties. In contrast, the ultrathin RP NS acts as a transport layer that enhances carrier mobility. The 3D/2D heterojunction ensures a large interface contact surface, shortening the carrier transport distance. A well-aligned band position generates a substantial built-in electric field, providing a significant driving force for efficient carrier separation and migration, thereby improving response sensitivity. A PEC aptamer sensor was constructed based on the synthesized heterostructure for ciprofloxacin detection. The detection limit of the CuInS2/RP NS aptamer sensor for ciprofloxacin is 2.03 × 10-15 mg·mL-1, with a linear range from 1.0 × 10-14 to 1.0 × 10-5 mg·mL-1. This work presents a strategy for enhancing the photoelectric response by modulating the interface structure of heterojunctions, thereby opening new prospects for the application of highly sensitive PEC sensors in antibiotic detection.

Transport properties through alternating borophene and graphene superlattices

The electronic transport properties of two junctions (BGB, GBG) made of borophene (B) and graphene (G) are investigated. Using the transfer matrix method with Chebyshev polynomials, we have studied single and multiple barriers in a superlattice configuration. We showed that a single barrier exhibits remarkable tilted transport properties, with perfect transmission observed for both junctions under normal incidence. We found that robust superlattice transmission is maintained for multiple barriers, particularly in the BGB junction. It turns out that by varying the incident energy, many gaps appear in the transmission probability. The number, width, and position of these transmission gaps can be manipulated by adjusting the number of cells, incident angle, and barrier characteristics. For diffuse transport, we observed considerable variations in transmission probability, conductance and the Fano factor, highlighting the sensitivity of these junctions to the physical parameters. We showed different behaviors between BGB and GBG junctions, particularly with respect to the response of conductance and Fano factor when barrier height varies. For ballistic transport, we have seen that the minimum scaled conductance is related to the maximum Fano factor, demonstrating their control under specific conditions of the physical parameters. Analysis of the length ratio (geometric factor) revealed some remarkable patterns, where scaled conductance and the Fano factor converged to certain values as the ratio approached infinity.

Electrochemical performance of g-C3N4 embedded NiO nanocomposite anodes for Lithium-ion batteries

The combination of two-dimensional layered heterostructures with transition metal oxide electrodes has attracted considerable attention. In this work, the hydrothermal method is adopted to produce graphitic carbon nitride-embedded Nickel oxide (g-CN/NiO) nanocomposites and tested their electrochemical performance against Li/Li+ half cells. The formation of g-CN/NiO nanocomposite is confirmed through structural analysis techniques, such as XRD and XPS. The scanning electron microscopy image reveals the existence of spherical g-CN/NiO nanocomposite. The g-CN embedded NiO anodes exhibited excellent electrochemical performance and cyclability, and the g-CN/NiO versus Li/Li+ half-cell delivered an initial discharge capacity of 906.4 mAh g-1 at a 0.1C rate. At 500 cycles, the anode delivered 195 mAh g-1 capacity with a columbic efficiency of 99.5 %. Interestingly, the g-CN/NiO anode exhibits two distinct trends in its cycling performance. Until 300 cycles, the capacity fade was perceived, and after 300 cycles, due to the overhang mechanism, an increasing trend was observed. The electrochemical result reveals that the introduction of g-CN improves the structural stability and electron transport properties of g-CN/NiO anodes.

Comparison of the excellent thermoelectric properties of the half-Heusler compounds RbMgSb with a host-guest structure and LiMgSb

In this work, we systematically studied the thermoelectric (TE) transport properties of the half-Heusler compounds AMgSb (A = Li, Rb) based on an incorporation of first-principles calculations with self-consistent phonon theory and Boltzmann transport equations. We noted significant changes in the vibrational behavior of alkali metal atoms with a substantial increase in atomic mass. This alteration led to the formation of a host-guest structure in RbMgSb. In contrast, the stronger harmonic vibrations in LiMgSb results in it maintaining a Half-Heusler structure, without the pronounced anharmonicity found in RbMgSb. The calculation results reveal that RbMgSb has ultra-low lattice thermal conductivity κL, which is ten times lower than LiMgSb. We show that rattlers cause tenfold reductions in the thermal conductivity by increasing the phonon–phonon scattering probability, occurred in a wide frequency range. In addition, after careful consideration of multiple scattering mechanisms, the multiple valleys, high dispersion, flat band edges and band asymmetry near the Fermi level give both materials excellent electron transport properties. At the same time, LiMgSb itself already has a very low electron thermal conductivity κe, but the κe of RbMgSb is ten times smaller than that. As a consequence, remarkable ZT values of 2.51 and 3.45 at 900 K are captured in n-type LiMgSb and p-type RbMgSb, respectively. These findings reveal the promising potential of AMgSb in TE applications.

Demystifying ionic and electronic transport in prominent oxide ion and proton conducting ceramic electrolytes: Ce0.8Sm0.2O2 and BaCe0.7Zr0.1Y0.1Yb0.1O3-δ

ABSTRACT The development and performance of ceramic electrochemical cells (CECs) depend critically on choosing ceramic electrolytes with optimal ionic and electronic transport properties. In this study, we compare the structural, morphological, and transport characteristics of two representative ceramic electrolytes, oxide ion conducting Ce0.8Sm0.2O2 (SDC) and proton conducting BaCe0.7Zr0.1Y0.1Yb0.1O3-δ (BCZYYb). We demonstrate that SDC exhibits higher bulk conductivity but lower open-circuit voltage due to its higher electron density and larger crystallite size. In contrast, BCZYYb possesses higher proton conduction, lower activation energy (0.35–0.38 eV), and higher open-circuit voltage due to its lower electron density and smaller crystallite size with more grain boundaries. BCZYYb shows enhanced proton conductivity in humidified atmospheres due to the hydration of oxygen vacancies, making it more suitable for low-temperature CEC applications. These insights into ceramic electrolyte conduction mechanisms and microstructure-property relationships can guide the optimization of CECs for energy applications.

Understanding the electronic structure and transport properties of A-site SrTiO3-δ ceramics with enhanced configuration entropy

Since SrTiO3 is attractive due to its versatile electronic properties ranging from dielectric to semiconducting behavior, the effect of systematic co-substitution of various A-site cations on the electronic structure and transport properties of oxygen-deficient SrTiO3-δ bulk ceramics was analyzed. The materials were synthesized by reverse co-precipitation method and densified by spark plasma sintering (SPS) in a vacuum, followed by a post-thermal treatment in a reducing atmosphere (5 % H2/Ar). The phase purity was confirmed by X-ray diffraction (XRD), different microstructures were revealed by scanning electron microscopy (SEM), and characterization in terms of electrical conductivity (σel) and Seebeck coefficient (S) were performed. The largest power factor was obtained with Sr0.25Ca0.25Na0.25La0.25TiO3-δ by maintaining electrical conductivity while increasing the Seebeck coefficient. Density Functional Theory (DFT) calculations were applied to obtain information on band structures, the projected density of states (PDOS), and electron density differences (EDD). Band structures indicated that oxygen deficiency essentially changed the conductive nature of the studied materials by shifting the Fermi level to the conductive zone, while PDOS plots define the role of each element located at the A site. The electronic structure is affected to the greatest extent in the cases when Nd and Pr are present at the A-site. However, the obtained experimental and computational (DFT) results could not completely match and explain all phenomena since understanding the effect of different cations at A-site on oxygen vacancy formation seems to be a challenging task, and therefore, some hypotheses are proposed. This work attempts to understand the role of a particular cation at A-site on the electronic band structure and its relevance to the formation of oxygen vacancies, thereby providing valuable insights for future high-entropy perovskite titanates with improved transport properties.

In‐Plane Overdamping and Out‐Plane Localized Vibration Contribute to Ultralow Lattice Thermal Conductivity of Zintl Phase KCdSb

AbstractZintl phases typically exhibit low lattice thermal conductivity, which are extensively investigated as promising thermoelectric candidates. While the significance of Zintl anionic frameworks in electronic transport properties is widely recognized, their roles in thermal transport properties have often been overlooked. This study delves into KCdSb as a representative case, where the [CdSb4/4]− tetrahedrons not only impact charge transfer but also phonon transport. The phonon velocity and mean free path, are heavily influenced by the bonding distance and strength of the Zintl anions Cd and Sb, considering the three acoustic branches arising from their vibrations. Furthermore, the weakly bound Zintl cation K exhibits localized vibration behaviors, resulting in strong coupling between the high‐lying acoustic branch and the low‐lying optical branch, further impeding phonon diffusion. The calculations reveal that grain boundaries also contribute to the low lattice thermal conductivity of KCdSb through medium‐frequency phonon scattering. These combined factors create a glass‐like thermal transport behavior, which is advantageous for improving the thermoelectric merit of zT. Notably, a maximum zT of 0.6 is achieved for K0.84Na0.16CdSb at 712 K. The study offers both intrinsic and extrinsic strategies for developing high‐efficiency thermoelectric Zintl materials with extremely low lattice thermal conductivity.

Multifunctional organic salts synergize interfacial passivation for efficient PSCs

Fully inorganic metal halide perovskite solar cells (PSCs) exhibit high efficiency and excellent thermal stability. However, the presence of surface traps caused by oxygen vacancies in the electron transport layer leads to significant non-radiative charge recombination, which limits both the short-circuit current density (JSC) and photoelectric conversion efficiency (PCE). In this study, we propose a dual-purpose strategy by incorporating the multifunctional organic salt dopamine hydrochloride (DACl) as an additive into the electron transport layer. Firstly, DACl acts as a Lewis base when added to TiO2 films, facilitating improvements in electron transport properties and resulting in higher photovoltaic quality of subsequently deposited perovskite layers. This enhancement significantly improves overall photovoltaic performance. Secondly, DACl's electron-rich aromatic structure and -NH2 functional group can anchor undercoordinated Pb2+ ions and passivate defects within the perovskite film. Additionally, its -OH functional group and charged ion Cl- play crucial roles in improving perovskite grain size and crystallinity. As a result of these modifications, cell efficiency increased ∼35 %, from 9.37 % to 12.70 %, while short-circuit current density increased from 15.44 mA cm−2 to 17.80 mA cm−2 at an illumination intensity of 100 mW cm−2. These findings suggest that introducing DACl into the ETL layer is a promising approach for achieving efficient and stable PSCs.

Styrene monomer as potential material for design of new optoelectronic and nonlinear optical polymers: density functional theory study.

Using density functional theory, we have studied the intrinsic properties of styrene. First, we determine the optimized structures, structural parameters and thermodynamic properties to make our simulations more realistic to experimental results and check the stability. Second, we investigate optoelectronic, electronic and global descriptors, transport properties of holes and electrons, natural bond orbital analysis, absorption and fluorescence properties. Finally, we study nonlinear optical (NLO) properties: first- and second-order hyperpolarizability, second and third-order optical susceptibilities, hyper-Rayleigh scattering hyperpolarizability, electro-optical Pockel effect, direct current Kerr effects and quadratic refractive index. The bandgap energy E g = 5.146 eV and dielectric constant show that styrene is a good insulator with an average electric field value of 4.43 × 108 Vm-1. Thermodynamic findings show that our molecule is thermodynamically and chemically stable. Electron and hole reorganization energies of 0.393 and 0.295 eV, respectively, show that styrene is more favourable to hole transport than electron transport. Styrene is transparent with linear refractive index n = 1.750 and quadratic n 2 = 1.748 × 10-20 m2 W-1. At the NLO, styrene has a non-zero value of which confirms the existence of first-order NLO activity. Globally the study shows that the styrene monomer is suitable for the architecture design of new polymer materials for NLO applications and optoelectronic by functionalization.

Strain engineering of electronic structure and thermoelectric properties of quasi-hexagonal fullerene monolayer

As a newly synthesized two-dimensional (2D) carbon material, monolayer quasi-hexagonal phase fullerene (qHP C60) has an excellent electronic structure and low thermal conductivity. qHP C60 attracted significant attention from scientists because it has potential applications in thermoelectric materials. Thermoelectric properties of 2D materials significantly depend on the transport of carriers (such as electrons and phonons), and strain engineering is an essential method for modulating the transport of electrons and phonons in 2D materials. However, the strain engineering method for the modulation of the thermoelectric properties of monolayer qHP C60 has not been reported yet. In the present paper, the first-principles combined with the non-equilibrium Green's function method are used to investigate the ballistic transport properties of electrons and phonons in monolayer qHP C60. The effects of temperature, chemical potential, and biaxial tensile strain on the thermoelectric transport parameters (including conductivity, Seebeck coefficient, power factor, and thermal conductivity) as well as the figure of merit (ZT) of monolayer qHP C60 are presented, compared, discussed, and analyzed. We found that monolayer qHP C60 exhibits anisotropic characteristics in electron and phonon transport properties, showcasing outstanding thermoelectric properties. The distinctive quasi-hexagonal phase fullerene network structure offers a novel platform for exploring innovative 2D thermoelectric materials in research. This study provides crucial theoretical insights to guide the designing and implementation of 2D thermoelectric materials based on fullerenes.

Low lattice thermal conductivity induced by interlayer anharmonicity in p-type BaFZnAs compound with high thermoelectric performance

Inspired by the excellent thermoelectric (TE) performance of ZrSiCuAs-type materials, the crystal structure, thermal and electronic transport mechanisms, and TE properties of the BaFZnAs compound are explored using first-principles calculations and Boltzmann transport theory. The BaFZnAs compound is an anisotropic material, with a direct bandgap of 1.20 eV determined by the Heyd-Scuseria-Ernzerhof (HSE06) functional. The [Zn2As2]2- layer within BaFZnAs compound forms carrier transport channel, which is beneficial for high power factor. The strong out-of-plane interlayer anharmonicity of the [Ba2F2]2+ and [Zn2As2]2- layers with weak interactions leads to a low lattice thermal conductivity (1.64 W/mK at 300 K) for the BaFZnAs compound. Based on the carrier relaxation time evaluated in the consideration of multiple carrier scattering rates and electronic transport parameters, the optimal ZTs of 1.44 and 2.06 are achieved for n-type and p-type BaFZnAs compounds at 900 K, associating with the corresponding ZTs of 2.10 (0.72) and 2.64 (0.51) along the a-axis and c-axis directions. Our present work not only offers multifaceted insights into the thermal and electronic transport properties of BaFZnAs compound, but also provides a new inspiration for further TE exploration of ZrSiCuAs-type materials.

High-bandwidth low-current measurement system for automated and scalable probing of tunnel junctions in liquids.

Tunnel junctions have long been used to immobilize and study the electronic transport properties of single molecules. The sensitivity of tunneling currents to entities in the tunneling gap has generated interest in developing electronic biosensors with single molecule resolution. Tunnel junctions can, for example, be used for sensing bound or unbound DNA, RNA, amino acids, and proteins in liquids. However, manufacturing technologies for on-chip integrated arrays of tunnel junction sensors are still in their infancy, and scalable measurement strategies that allow the measurement of large numbers of tunneling junctions are required to facilitate progress. Here, we describe an experimental setup to perform scalable, high-bandwidth (>10kHz) measurements of low currents (pA-nA) in arrays of on-chip integrated tunnel junctions immersed in various liquid media. Leveraging a commercially available compact 100kHz bandwidth low-current measurement instrument, we developed a custom two-terminal probe on which the amplifier is directly mounted to decrease parasitic probe capacitances to sub-pF levels. We also integrated a motorized three-axis stage, which could be powered down using software control, inside the Faraday cage of the setup. This enabled automated data acquisition on arrays of tunnel junctions without worsening the noise floor despite being inside the Faraday cage. A deliberately positioned air gap in the fluidic path ensured liquid perfusion to the chip from outside the Faraday cage without coupling in additional noise. We demonstrate the performance of our setup using rapid current switching observed in electromigrated gold tunnel junctions immersed in deionized water.

Electrochemical evaluation of low crystalline CoFe2O4@Reduced graphene oxide nanocomposite for hybrid supercapacitor application

The development of high-performance and cost-effective energy storage materials remains of significant scientific interest. Here, low-crystalline (LC) binary transition metal oxide (BTMO) CoFe2O4 is studied for its application in a hybrid supercapacitor. This disordered LC CoFe2O4 material was prepared by the co-precipitation method, and to improve the electron transport property of the LC CoFe2O4, a composite was prepared with reduced graphene oxide (RGO). LC CoFe2O4@rGO interconnected network enhances the electrolyte ion diffusion within the material. This CoFe2O4@RGO shows an electrochemical performance of 2247.82 mF cm−2 at a current density of 1 mA cm−2. The cyclic stability study is performed to CF@RGO 20 % electrode for 2000 cycles at 30 mA cm−2 current density. Further, to understand the charge storage mechanism, Dunn analysis is done, the capacitive and diffusion contributions to charge storage are studied. Besides, the charge transfer and diffusion characteristics of the material were studied using electrochemical impedance spectroscopy. So, these LC CoFe2O4@RGO based materials with improved ion diffusivity and flexibility in synthesis make them attractive candidates for the development of high-performance and cost-effective supercapacitor.

Directional electron transport and strong chloridion repulsion enabled by Hierarchical NiCo2O4/NiCoP heterojunction for efficient seawater oxidation

Optimizing the efficiencies of both electron transport and chloridion repulsion are highly desired for achieving high-performance oxygen evolution reaction (OER) electrocatalysts in seawater oxidation, but still remains a huge challenge. In this study, an efficient synthetic method is developed to successfully synthesize a novel heterogeneous hollow polyhedron nanocages (denoted as NiCo2O4/NiCoP) with directional electron transport and strong chloridion repulsion properties, which profits from its diverse work functions and anion electrostatic repulsion in heterojunction nanostructure, respectively. Accordingly, NiCo2O4/NiCoP exhibits superior OER activity in 1 M KOH (η = 325 mV@10 mA cm−2) and alkaline simulated seawater (η = 340 mV@10 mA cm−2), as well as outstanding long-term stability. Density functional theory calculations demonstrate that the construction of NiCo2O4/NiCoP heterojunction promotes the directional electron transport in the heterogeneous interface and enables strong chloridion repulsion in comparison with individual NiCo2O4 and NiCoP, thus largely improving its OER performance in alkaline simulated seawater.

Exploring synthesis, characterization, and computational insights into indacenodithiophene-based hole transporting materials for enhanced perovskite solar cell applications

Utilizing hole-transporting materials (HTMs) to extract and transport holes from perovskite materials to the electrode remains essential in most perovskite solar cell (PSC) architectures. Developing cost-effective and efficient HTMs is essential for advancing PSC technology. We have synthesized a novel HTM, TPA-IDT-TPA, which has an extended fused ring as the core moiety called indacenodithiophene (IDT) and p-methoxy triphenylamine (p-mTPA) as terminal groups. TPA-IDT-TPA exhibits appropriate frontier molecular orbital (FMO) energy levels that match perovskite materials. Density functional theory (DFT) simulations were performed to comprehend the electronic, excited-state, and charge transport properties. The DFT results indicate that the extended π-conjugation, rigidity, and the central core ring of the HTM enhanced the π-π stacking, contributing to efficient charge transport. The PSC constructed with TPA-IDT-TPA achieves a device efficiency of 8.34%, with high values of JSC and VOC, which can be further enhanced through molecular optimization.

The impact of helium clusters on the electronic thermal transport properties of tungsten plasma-facing materials at finite temperatures

In this work, we investigated the impact of different concentrations of helium (He) impurities on the electronic thermal transport properties of tungsten plasma-facing materials (W-PFMs) at finite temperatures using the W-He tight-binding (TB) potential model. We found that the electronic transport performance decreases with increasing He atom concentration at different sites, where the greatest reduction in the electrical conductivity of the system is caused by the introduction of He atoms at neighboring tetrahedral sites. As the temperature increases, the electrical conductivity decreases, while the electronic thermal conductivity increases. Importantly, the higher the temperature is, the weaker the response of the electrical conductivity and electronic thermal conductivity to the He atom concentration. We suggest that this behavior is attributed to the diverse contributions of scattering mechanisms within various temperature ranges. Furthermore, as the temperature increases, the electron scattering mechanism gradually transitions from electron-impurity scattering to electron-electron scattering. Additionally, our calculated atomic resolved electrical conductivity data indicate that at lower temperatures, the electrical conductivity is predominantly contributed by W atoms around the He cluster.

In2O3/ZnO heterojunction thin film transistor for high recognition accuracy neuromorphic computing and optoelectronic artificial synapses

Solid electrolyte-gated transistors exhibit improved chemical stability and can fulfill the requirements of microelectronic packaging. Typically, metal oxide semiconductors are employed as channel materials. However, the extrinsic electron transport properties of these oxides, which are often prone to defects, pose limitations on the overall electrical performance. Achieving excellent repeatability and stability of transistors through the solution process remains a challenging task. In this study, we propose the utilization of a solution-based method to fabricate an In2O3/ZnO heterojunction structure, enabling the development of efficient multifunctional optoelectronic devices. The heterojunction’s upper and lower interfaces induce energy band bending, resulting in the accumulation of a large number of electrons and a significant enhancement in transistor mobility. To mimic synaptic plasticity responses to electrical and optical stimuli, we utilize Li+-doped high-k ZrO x thin films as a solid electrolyte in the device. Notably, the heterojunction transistor-based convolutional neural network achieves a high accuracy rate of 93% in recognizing handwritten digits. Moreover, our research involves the simulation of a typical sensory neuron, specifically a nociceptor, within our synaptic transistor. This research offers a novel avenue for the advancement of cost-effective three-terminal thin-film transistors tailored for neuromorphic applications.

Zigzag boron nitride nanoribbon doped with carbon atom for giant magnetoresistance and rectification behavior based nanodevices

Using the principles of density functional theory (DFT) and nonequilibrium Green’s function (NEGF), We thoroughly researched carbon-doped zigzag boron nitride nanoribbons (ZBNNRs) to understand their electronic behavior and transport properties. Intriguingly, we discovered that careful doping can transform carbon-doped ZBNNRs into a spintronic nanodevice with distinct transport features. Our model showed a giant magnetoresistance (GMR) up to a whopping 105\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^5$$\\end{document} under mild bias conditions. Plus, we spotted a spin rectifier having a significant rectification ratio (RR) of 104\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^4$$\\end{document}. Our calculated transmission spectra have nicely explained why there’s a GMR up to 105\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^5$$\\end{document} for spin-up current at biases of -1.2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$-1.2$$\\end{document} V, -1.1\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$-1.1$$\\end{document} V, and -1.0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$-1.0$$\\end{document} V, and also accounted for a GMR up to 103\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^3$$\\end{document}–105\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^5$$\\end{document} for spin-down current at biases of 1.0 V, 1.1 V, and 1.2 V. Similarly, the transmission spectra elucidate that at biases of 1.0 V, 1.1 V, and 1.2 V for spin-up, and at biases of 1.1 V and 1.2 V for spin-down in APMO, the RRs reach 104\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^4$$\\end{document}. Our research shines a light on a promising route to push forward the high-performance spintronics technology of ZBNNRs using carbon atom doping. These insights hint that our models could be game-changers in the sphere of nanoscale spintronic devices.