High-performance Applications Research Articles

Reduced trap state density in AlGaN/GaN HEMTs with low-temperature CVD-grown BN gate dielectric

In this Letter, low-temperature (400 °C) chemical vapor deposition-grown boron nitride (BN) was investigated as the gate dielectric for AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors (MISHEMTs) on a Si substrate. Comprehensive characterizations using x-ray photoelectron spectroscopy, reflection electron energy loss spectroscopy, atomic force microscope, high-resolution transmission electron microscopy, and time-of-flight secondary ion mass spectrometry were conducted to analyze the deposited BN dielectric. Compared with conventional Schottky-gate HEMTs, the MISHEMTs exhibited significantly enhanced performance with 3 orders of magnitude lower reverse gate leakage current, a lower off-state current of 1 × 10−7 mA/mm, a higher on/off current ratio of 108, and lower on-resistance of 5.40 Ω mm. The frequency-dependent conductance measurement was performed to analyze the BN/HEMT interface, unveiling a low interface trap state density (Dit) on the order of 5 × 1011–6 × 1011 cm−2 eV−1. This work shows the effectiveness of low-temperature BN dielectrics and their potential for advancing GaN MISHEMTs toward high-performance power and RF electronics applications.

Flexible and high durability aramid Nanofiber/Ti3C2Tx MXene@CuNPs nanocomposite films for superior electromagnetic interference shielding

Higher shielding efficiency and better overall performance are the direction of development for electromagnetic interference (EMI) shielding materials due to the rapid development of electronic information technology. Herein, a novel flexible, lightweight, durable, and high electrical conductivity aramid nanofiber/Ti3C2Tx MXene/copper nanoparticles (ANF/MXene@CuNPs) nanocomposite film is successfully prepared using the blade-coating method in conjunction with the sol-gel conversion strategy and the electroless mental deposition approach. Without the use of the traditional roughing procedure, in-situ reduction of CuNPs on the film is accomplished by employing a low amount of MXene as the reducing agent, which not only stabilizes the metal nanoparticles but also endows a strong binding force between CuNPs coating and the substrate, significantly improving the conductivity and EMI shielding efficiency. Therefore, the EMI SE of the as-obtained film with 30 min of CuNPs planting can reach 73.8 dB. Moreover, the high-performance ANF soft matrix provides the film with good flexibility, allowing it to be folded into intricate patterns without shattering. Furthermore, the film has exceptional stability and durability due to the strong connection between the substrate and copper plating. The multifunctional ANF/MXene@CuNP films exhibit outstanding potential in high-performance electromagnetic shielding applications.

Simulations of Anisotropic Monolayer GaSCl for p-Type Sub-10 nm High-Performance and Low-Power FETs.

Two-dimensional materials have been extensively studied in field-effect transistors (FETs). However, the performance of p-type FETs has lagged behind that of n-type, which limits the development of complementary logical circuits. Here, we investigate the electronic properties and transport performance of anisotropic monolayer GaSCl for p-type FETs through first-principles calculations. The anisotropic electronic properties of monolayer GaSCl result in excellent device performance. The p-type GaSCl FETs with 10 nm channel length have an on-state current of 2351 μA/μm for high-performance (HP) devices along the y direction and an on-state current of 992 μA/μm with an on/off ratio exceeding 107 for low-power (LP) applications along the x direction. In addition, the delay-time (τ) and power dissipation product of GaSCl FETs can fully meet the International Technology Roadmap for Semiconductors standards for HP and LP applications. Our work illustrates that monolayer GaSCl is a competitive p-type channel for next-generation devices.

Exploring the potential of constructing a hybrid supercapacitor with FeCoNi-LDH porous material containing oxygen vacancies for high-performance energy storage applications

Exploring the potential of constructing a hybrid supercapacitor with FeCoNi-LDH porous material containing oxygen vacancies for high-performance energy storage applications

Toward Concurrent Identification of Human Activities with a Single Unifying Neural Network Classification: First Step

The characterization of human behavior in real-world contexts is critical for developing a comprehensive model of human health. Recent technological advancements have enabled wearables and sensors to passively and unobtrusively record and presumably quantify human behavior. Better understanding human activities in unobtrusive and passive ways is an indispensable tool in understanding the relationship between behavioral determinants of health and diseases. Adult individuals (N = 60) emulated the behaviors of smoking, exercising, eating, and medication (pill) taking in a laboratory setting while equipped with smartwatches that captured accelerometer data. The collected data underwent expert annotation and was used to train a deep neural network integrating convolutional and long short-term memory architectures to effectively segment time series into discrete activities. An average macro-F1 score of at least 85.1 resulted from a rigorous leave-one-subject-out cross-validation procedure conducted across participants. The score indicates the method’s high performance and potential for real-world applications, such as identifying health behaviors and informing strategies to influence health. Collectively, we demonstrated the potential of AI and its contributing role to healthcare during the early phases of diagnosis, prognosis, and/or intervention. From predictive analytics to personalized treatment plans, AI has the potential to assist healthcare professionals in making informed decisions, leading to more efficient and tailored patient care.

C@Ag core-shell structure as lubricating additives towards high efficient lubrication

Efficient cooperative lubrication can be achieved via the introduction of core-shell structure lubricant additives with hard core and soft shell, for obtaining the expected anti-wear performance from the structural changes in the friction process. In this study, C@Ag microspheres with a core-shell structure were prepared by the redox method with carbon spheres as the core and Ag nanoparticles as the shell. Their tribological behaviors as base oil (G1830) additive with different concentrations were investigated in detail. Compared with base oil, the addition of C@Ag particles at 0.5 wt% can reduce the coefficient of friction (COF) and wear volume (Wv) up to 15.5% and 88%, respectively. More importantly, C@Ag particles provide superior lubrication performance to single additive (like carbon sphere (CS) and Ag nanoparticle). C@Ag core-shell particles contribute to the formation of tribo-film by melt bonding of flexible Ag and carbon sphere (CS) toward excellent self-repair performance and high-efficiency lubrication. Hence, core-shell structural nanoparticles with hard-core and soft-shell hold bright future for high-performance lubrication application.

Surface Engineering of Two-Dimensional Black Phosphorus for Advanced Nanophotonics.

ConspectusEverything in the world has two sides. We should correctly understand its two sides to pursue the positive side and get rid of the negative side. Recently, two-dimensional (2D) black phosphorus (BP) has received a tremendous amount of attention and has been applied for broad applications in optoelectronics, transistors, logic devices, and biomedicines due to its intrinsic properties, e.g., thickness-dependent bandgap, high mobility, highly anisotropic charge transport, and excellent biodegradability and biocompatibility. On one hand, rapid degradation of 2D BP under ambient conditions becomes a vital bottleneck that largely hampers its practical applications in optical and optoelectronic devices and photocatalysis. On the other hand, just because of its ambient instability, 2D BP as a novel kind of nanomedicine in a cancer drug delivery system can not only satisfy effective cancer therapy but also enable its safe biodegradation in vivo. Until now, a variety of surface functionality types and approaches have been employed to rationally modify 2D BP to meet the growing requirements of advanced nanophotonics.In this Account, we describe our research on surface engineering of 2D BP in two opposite ways: (i) stabilizing 2D BP by various approaches for advanced nanophotonic devices with both remarkable photoresponse behavior and environmentally structural stability and (ii) making full use of biodegradation, biocompatibility, and biological activity (e.g., photothermal therapy, photodynamic therapy, and bioimaging) of 2D BP for the construction of high-performance delivery nanoplatforms for biophotonic applications. We highlight the targeted aims of the surface-engineered 2D BP for advanced nanophotonics, including photonic devices (optics, optoelectronics, and photocatalysis) and photoinduced cancer therapy, by means of various surface functionalities, such as heteroatom incorporation, polymer functionalization, coating, heterostructure design, etc. From the viewpoint of potential applications, the fundamental properties of surface-engineered 2D BP and recent advances in surface-engineered 2D BP-based nanophotonic devices are briefly discussed. For the photonic devices, surface-engineered 2D BP can not only effectively improve environmentally structural stability but also simultaneously maintain photoresponse performance, enabling 2D BP-based devices for a wide range of practical applications. In terms of the photoinduced cancer therapy, surface-engineered 2D BP is more appropriate for the treatment of cancer due to negligible toxicity and excellent biodegradation and biocompatibility. We also provide our perspectives on future opportunities and challenges in this important and fast-growing field. It is envisioned that this Account can attract more attention in this area and inspire more scientists in a variety of research communities to accelerate the development of 2D BP for more widespread high-performance nanophotonic applications.

Utilizing rubber plant leaf petioles derived activated carbon for high-performance supercapacitor electrodes

This research introduces a novel and sustainable method that exploits the untapped potential of waste biomass, specifically converting dead leaf petioles from Ficus elastica, an industrial crop commonly known as rubber plants, into high-performance activated carbon (AC) for supercapacitor electrodes through a straightforward pyrolysis process. The prepared AC is used as an electrode substance to construct symmetrical supercapacitors. It underwent detailed morphological and structural analyses through various analytical instruments to assess the AC's performance and quality. Electrochemical assessments using a two-electrode configuration with 1 M KOH as the electrolyte revealed that the AC electrodes display exemplary characteristics of electric double-layer capacitance. This conclusion was drawn from observing cyclic voltammetry curves that were rectangular and symmetrical across scan rates ranging from 10 to 100 mV/s. Remarkably, at a scan rate of 10 mV/s, these AC electrodes achieved a specific capacitance of 128 F/g. The superior performance of the AC, when compared to other biomass-derived electrode materials, can be attributed to its extensive surface area and significant porosity. Moreover, electrodes crafted from AC derived from rubber plants showed remarkable durability over 10000 charge-discharge cycles, maintaining 89 % of their original capacitance and achieving a Coulombic efficiency of up to 87 %. During prolonged discharge periods, these electrodes exhibited a high specific capacitance, which contributed to achieving a power density of 200 W/kg and an energy density of 11.4 Wh/kg. This study highlights the viability of rubber plant waste in advanced energy storage systems and significantly contributes to sustainable material science. By offering an eco-friendly approach for supercapacitor electrode fabrication, this research aligns with global efforts towards sustainable energy storage technologies, demonstrating the practicality of environmentally benign materials in high-performance applications.

CuFeS2/Carbon Sphere Nanocomposites for Improved Capacitive Performance

CuFeS2 has many advantages, like high electrical conductivity, multiple redox centers, natural abundance and nontoxic. However, the low capacitance limits their application. In this work, we use carbon spheres (CS) prepared from starch to modify CuFeS2. The prepared CuFeS2/CS shows special structures with the CS as the core and CuFeS2 as the shell. These CuFeS2/CS nanocomposites show improved capacitive performance. CuFeS2/CS has a specific capacitance of 349.4[Formula: see text]F[Formula: see text]g[Formula: see text] at 0.5[Formula: see text]A[Formula: see text]g[Formula: see text], four times that of pristine CuFeS2 (88.8[Formula: see text]F[Formula: see text]g[Formula: see text], which might be attributed to the increased electrolyte diffusion capacity. The cyclic stability is also slightly improved, from 86.4% of the pristine CuFeS2 to 90.5% of the CuFeS2/CS nanocomposites due to the rigid structure of both crystal CuFeS2 and firm CS. These CuFeS2/CS nanocomposites are expected to be used in high-performance supercapacitor applications.

Copper-Graphene Composite (CGC) Conductors: Synthesis, Microstructure, and Electrical Performance.

Improving the electrical performance of copper, the most widely used electrical conductor in the world is of vital importance to the progress of key technologies, including electric vehicles, portable devices, renewable energy, and power grids. Copper-graphene composite (CGC) stands out as the most promising candidate for high-performance electrical conductor applications. This can be attributed to the superior properties of graphene fillers embedded in CGC, including excellent electrical and thermal conductivity, corrosion resistance, and high mechanical strength. This review highlights the recent progress of CGC conductors, including their fabrication processes, electrical performances, mechanisms of copper-graphene interplay, and potential applications.

Quad-Band 1 × 4 Linear MIMO Antenna for Millimeter-Wave, Wearable and Biomedical Telemetry Applications

In this paper, we present the design of a millimeter-wave 1 × 4 linear MIMO array antenna that operates across multiple resonance frequency bands: 26.28–27.36 GHz, 27.94–28.62 GHz, 32.33–33.08 GHz, and 37.59–39.47 GHz, for mm-wave wearable biomedical telemetry application. The antenna is printed on a flexible substrate with dimensions of 11.0 × 44.0 mm2. Each MIMO antenna element features a modified slot-loaded triangular patch, incorporating ‘cross’-shaped slots in the ground plane to improve impedance matching. The MIMO antenna demonstrates peak gains of 6.12, 8.06, 5.58, and 8.58 dBi at the four resonance frequencies, along with a total radiation efficiency exceeding 75%. The proposed antenna demonstrates excellent diversity metrics, with an ECC < 0.02, DG > 9.97 dB, and CCL below 0.31 bits/sec/Hz, indicating high performance for mm-wave applications. To verify its properties under flexible conditions, a bending analysis was conducted, showing stable S-parameter results with deformation radii of 40 mm (Rx) and 25 mm (Ry). SAR values for the MIMO antenna are calculated at 28.0/38.0 GHz. The average SAR values for 1 gm/10 gm of tissues at 28.0 GHz are found to be 0.0125/0.0079 W/Kg, whereas, at 38.0 GHz, average SAR values are 0.0189/0.0094 W/Kg, respectively. Additionally, to demonstrate the telemetry range of biomedical applications, a link budget analysis at both 28.0 GHz and 38.0 GHz frequencies indicated strong signal strength of 33.69 dB up to 70 m. The fabricated linear MIMO antenna effectively covers the mm-wave 5G spectrum and is suitable for wearable and biomedical applications due to its flexible characteristics.

Quad-Band 1 × 4 Linear MIMO Antenna for Millimeter-Wave, Wearable and Biomedical Telemetry Applications

In this paper, we present the design of a millimeter-wave 1 × 4 linear MIMO array antenna that operates across multiple resonance frequency bands: 26.28–27.36 GHz, 27.94–28.62 GHz, 32.33–33.08 GHz, and 37.59–39.47 GHz, for mm-wave wearable biomedical telemetry application. The antenna is printed on a flexible substrate with dimensions of 11.0 × 44.0 mm2. Each MIMO antenna element features a modified slot-loaded triangular patch, incorporating ‘cross’-shaped slots in the ground plane to improve impedance matching. The MIMO antenna demonstrates peak gains of 6.12, 8.06, 5.58, and 8.58 dBi at the four resonance frequencies, along with a total radiation efficiency exceeding 75%. The proposed antenna demonstrates excellent diversity metrics, with an ECC < 0.02, DG > 9.97 dB, and CCL below 0.31 bits/sec/Hz, indicating high performance for mm-wave applications. To verify its properties under flexible conditions, a bending analysis was conducted, showing stable S-parameter results with deformation radii of 40 mm (Rx) and 25 mm (Ry). SAR values for the MIMO antenna are calculated at 28.0/38.0 GHz. The average SAR values for 1 gm/10 gm of tissues at 28.0 GHz are found to be 0.0125/0.0079 W/Kg, whereas, at 38.0 GHz, average SAR values are 0.0189/0.0094 W/Kg, respectively. Additionally, to demonstrate the telemetry range of biomedical applications, a link budget analysis at both 28.0 GHz and 38.0 GHz frequencies indicated strong signal strength of 33.69 dB up to 70 m. The fabricated linear MIMO antenna effectively covers the mm-wave 5G spectrum and is suitable for wearable and biomedical applications due to its flexible characteristics.

Co/Ni/Cu-NH2BDC MOF@natural Egyptian zeolite ore nanocomposite for calcium ion removal in water softening applications.

Water softening is a treatment process required to remove calcium (Ca(II)) and magnesium (Mg(II)) cations from water streams. Nanocomposites can provide solutions for such multiple challenges and have high performance and low application costs. In this work, a multimetallic cobalt, nickel, and copper 2-aminoterephthalic acid metal-organic framework ((Co/Ni/Cu-NH2BDC) MOF) was synthesized by a simple solvothermal technique. This MOF was supported on an Egyptian natural zeolite ore and was used for the adsorption of Ca(II) ions for water-softening applications. The adsorbent was characterized using Fourier transform infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), N2 adsorption-desorption isotherms, and zeta potential measurements. The adsorption isotherm data for the prepared adsorbent toward Ca(II) were best fit using the Redlich-Peterson model and showed a maximum adsorption capacity of 88.1 mg/g. The adsorption kinetics revealed an equilibrium time of 10 min, which was best fit using the Avrami model. The intermolecular interactions of Ca(II) ions with zeolite and MOF were investigated by Monte Carlo simulations, molecular dynamics simulations, and FTIR and XRD analyses. The adsorption sites in the zeolite structure were oxygen atoms, while those in the MOF structure were amine nitrogen atoms. The Ca(II) ions are coordinated with the solvent molecules in both structures. Finally, the in vitro cytotoxicity of this nanocomposite was assessed, revealing viability levels of 74.57 ± 2.1% and 21 ± 2.79% for Vero and African green monkey kidney and human liver (HepG2) cells, respectively. Cytotoxicity assays help assess the environmental impact of these materials, ensuring that they do not harm aquatic organisms or disrupt ecosystems. Thus, this study demonstrated the valorization of MOF/zeolite as a valuable and industry-ready adsorbent that can appropriate Ca(II) contaminants from aqueous streams.

An in-depth investigation of physico-electro chemical properties of NiCo2S4 nano composites for high-performance supercapacitor applications

An in-depth investigation of physico-electro chemical properties of NiCo2S4 nano composites for high-performance supercapacitor applications

An in-depth investigation of physico-electro chemical properties of NiCo2S4 nano composites for high-performance supercapacitor applications

An in-depth investigation of physico-electro chemical properties of NiCo2S4 nano composites for high-performance supercapacitor applications

High-performance anti-series diode ring amplifier for switched capacitor circuits

Ring amplifiers enable efficient amplification with less power consumption. These are characterized by fairly power requirements, and innate rail-to-rail output swing and are robust against PVT variations. In this paper, we are presenting an improved self-biased anti-series diode-based ring amplifier (ASD-RAMP) design, implemented on 45-nm CMOS technology. The design uses two diode-connected PMOS transistors that are connected in an anti-series manner to generate a large resistance because of which a high dead-zone voltage is generated. The ASD-RAMP has a settling time of only 4.05 ns, which is nearly half of the conventional self-biased ring amplifier (CSB-RAMP). In comparison to CSB-RAMP, the proposed ASD-RAMP improves the dead-zone voltage by 1.1× while requiring 6.76% less power. The circuit is durable and suitable for high-performance applications since it exhibits great resilience to PVT variations in addition to the improved dead zone voltage and reduced settling time.

Recycling Organic Dyes within the Metal-Organic Framework for Photothermal Conversion.

The pursuit of a straightforward method to recycle organic dyes from effluents and repurpose them into valuable materials represents a highly sought-after yet huge challenge within the realms of chemistry, environment, and materials science. In this context, we employ a host-guest strategy that leverages the recycling of the rhodamine B molecule within the porous structure of a metal-organic framework to facilitate photothermal conversion. This achievement is realized through the electrostatic interaction, which then gives rise to remarkable selectivity and unparalleled uptake capacity for the cationic rhodamine B molecule. Capitalizing on this approach, the application of a columnar device and membrane technology for efficiently trapping rhodamine B molecules becomes feasible. On account of the aggregation effect resulting from the confined pore structure of the host matrix, the fluorescence emission of the encapsulated RhB molecules is significantly reduced, which consequently enhances the photothermal performance of the hybrid material through nonradiative transition. Moreover, the photothermal conversion achieved showcases a myriad of high-performance applications, including bacterial inhibition against Escherichia coli and seawater desalination.

Auxetic Biomedical Metamaterials for Orthopedic Surgery Applications: A Comprehensive Review.

Poisson's ratio in auxetic materials shifts from typically positive to negative, causing lateral expansion during axial tension. This scale-independent characteristic, originating from tailored architectures, exhibits specific physical properties, including energy adsorption, shear resistance, and fracture resistance. These metamaterials demonstrate exotic mechanical properties with potential applications in several engineering fields, but biomedical applications seem to be one of the most relevant, with an increasing number of articles published in recent years, which present opportunities ranging from cellular repair to organ reconstruction with outstanding mechanical performance, mechanical conduction, and biological activity compared with traditional biomedical metamaterials. Therefore, focusing on understanding the potential of these structures and promoting theoretical and experimental investigations into the benefits of their unique mechanical properties is necessary for achieving high-performance biomedical applications. Considering the demand for advanced biomaterial implants in surgical technology and the profound advancement of additive manufacturing technology that are particularly relevant to fabricating complex and customizable auxetic mechanical metamaterials, this review focuses on the fundamental geometric configuration and unique physical properties of negative Poisson's ratio materials, then categorizes and summarizes auxetic material applications across some surgical departments, revealing efficacy in joint surgery, spinal surgery, trauma surgery, and sports medicine contexts. Additionally, it emphasizes the substantial potential of auxetic materials as innovative biomedical solutions in orthopedics and demonstrates the significant potential for comprehensive surgical application in the future.

Phosphorous - Containing Activated Carbon Derived From Natural Honeydew Peel Powers Aqueous Supercapacitors.

The introduction of phosphorous (P), and oxygen (O) heteroatoms in the natural honeydew chemical structure is one of the most effective, and practical approaches to synthesizing activated carbon for possible high-performance energy storage applications. The performance metrics of supercapacitors depend on surface functional groups and high-surface-area electrodes that can play a dominant role in areas that require high-power applications. Here, we report a phosphorous and oxygen co-doped honeydew peel-derived activated carbon (HDP-AC) electrode with low surface area for supercapacitor via H3PO4 activation. This activator form phosphorylation with cellulose fibers in the HDP. The formation of heteroatoms stabilizes the cellulose structure by preventing the formation of levoglucosan (C6H10O5), a cellulose combustion product, which would otherwise offer a pathway for a substantial degradation of cellulose into volatile products. Therefore, heteroatom doping has proved effective, in improving the electrochemical properties. The improved performance is attributed to the high phosphorous doping with a hierarchical porous structure, which enables the transportation of ions at higher current rates. The high specific capacitance of 486, and 478 F/g at 0.6, and 1.3 A/g in 1M H2SO4 electrolyte with a prominent retention of 98% is observed for 2M H3PO4 having an impregnation ratio of 1:4.

Impact of doping with organic dopants and mixed doping with alkali metals and organic dopants on the absorption, electronic, optoelectronic, thermodynamic and nonlinear optical properties of dibenzo[b,def]chrysene in gaseous media: DFT and TD-DFT studies.

In this study, we evaluate the geometrical, absorption, optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of dibenzo[b,def]chrysene molecule derivatives by means of DFT and TD-DFT simulations. In view of the aim of producing new high-performance materials for non-linear optics (NLO) by doping test, two types of doping were used. We obtained six derivatives by doping with organic dopants (Nitro, amide and ticyanoethenyl) and mixed alkali metal (potassium) and organic dopants. Doping with organic dopants produced molecules A, B and C, respectively when substituting one hydrogen with nitro (NO2), amide (CONH2) and tricyanoethenyl (C5N3) groups, while mixed doping involved considering A, B and C and then substituting two hydrogens with two potassiums to obtain compounds D, E and F respectively. The negative values of the various interaction energies calculated for all the doped molecules show that they are all stable, but also that molecules C and F are the most stable in the case of both dopings. The gap energies calculated at the B3LYP level of theory are all below 3eV, which means that all the molecules obtained are semiconductors. Better still, compounds C and F, with gap energies of 1.852eV and 1.204eV, respectively, corresponding to decreases of 35.67% and 58.18% in gap energy compared with the pristine molecule, are more reactive than the other doped molecules. Mixed doping is therefore a highly effective way of narrowing the energy gap and boosting the semiconducting character and reactivity of organic materials. Optoelectronic properties have also been improved, with refractive index values higher than those of the reference material, glass. This shows that our compounds could be used under very high electric field conditions of the order of 4.164 109V.m-1 for C and 7.410 109V.m-1 for F the highest values at the B3LYP level of theory. The maximum first-order hyperpolarizability values for both types of doping are obtained at the CAM-B3LYP level of theory by C: 10-30esu and by F: 10-30esu, and second-order values are also given by these same compounds. These values are higher than the reference value, which is urea, making our compounds potential candidates for high-performance NLO applications. In dynamic mode and at a frequency of 1064nm, at the CAM-B3LYP level of theory, the highest dynamic hyperpolarizability coefficients were obtained by C and F. Hyper-Rayleigh scattering , coefficients of the electro-optical Pockel effect (EOPE), EFISHG, third-order NLO-response degree four-wave mixing , quadratic nonlinear refractive index n2 were also calculated. The maximum values of n2 are obtained by C (6.13 10-20 m2/W) and F (6.60 10-20 m2/W), these values are 2.24 times higher than that of fused silica which is the reference for degenerate four-wave mixing so our molecules could also have applications in optoelectronics as wavelength converters, optical pulse modulators and optical switches. Using the DFT method, we were able to determine the optimized and stable electronic structures of doped dibenzo[b,def]chrysene derivatives in the gas phase. We limited ourselves to using the proven B3LYP and CAMB3LYP levels of theory for calculating electronic properties, and non-linear optics with the 6-311G + + (d,p) basis set, which is a large basis set frequently used for these types of compound. Gaussian 09 software was used to run our calculations, and Gauss View 6.0.16 was used to visualize the output files. TD-DFT was also used to determine absorption properties at the B3LYP level of theory, using the same basis set.