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Transport properties of doped zigzag graphene nanoribbons
摘要： Numerous studies on materials have driven the development of modern nanoelectronic devices. And research also shown that the integrated circuits have entered the era of the nanoelectronic scales from the scale of microelectronics. But the limitations of copper as a traditional connection, such as the resistivity increases a lot, further causing a lot of heat in the interconnect, have been highlighted. Therefore, we need new materials as the substitution of copper. The metallic properties exhibited by the zigzag graphene nanoribbons (ZGNRs) can be controlled by the edge states, doping and different widths of the nanoribbons. In this paper, we applied simulation to dope copper atom chains on ZGNRs. We found an energetic phenomenon that after doping the nanoribbons conductivity have increased significantly than the original. In addition, the transmission channels are mainly concentrated near the doping position, and the width used for transmission is greatly reduced after doping. It is expected to be used as an inter-connect application in nano-integrated circuits in the future.
关键词： Density functional theory,Interconnect,Electronic transport property,Non-equilibrium Green's function,Zigzag graphene nanoribbons,Doping
更新于2025-09-23 15:23:52
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Half-metallic, Magnetic, and Optical Properties for the (001) Surface of Binary Heusler Alloy MgCl3
摘要： The half-metallic (HM), magnetic, and optical properties for the (001) surface of binary Heusler alloy MgCl3 were investigated by the first-principles method. The Mg*Mg*-term and Mg*Mg-term had the lower surface energies among the ClCl-term, Mg*Mg*-term, ClMg-term, ClCl*-term, and Mg*Mg-term (001) surfaces, thus, they were the more stable surfaces. The band decomposed charge density showed clearly the valence band maximum was contributed not only by the ClB-3p states but also the ClA-3p and ClC-3p states. The HM character was destroyed in all the five terminations of the (001) surface. The stable Mg*Mg*-term (001) surface had the largest spin polarization (≈ 83.0%). The hydrogen-termination effect showed an effective method to enlarge the spin polarizations for the ClCl-term and ClCl*-term surfaces to produce thin films which had potential applications in spintronics. There were great changes of atomic magnetic moments for Cl atoms in any layer. In energy range of 1.6–3.1 eV for the visible light, the Mg*Mg*-term had superiority in the absorption for purple light.
关键词： binary Heusler alloy,Half-metallic property,magnetic property,optical property
更新于2025-09-23 15:22:29
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(Bz) <sub/><i>n</i> </sub> and (VBz) <sub/><i>n</i> </sub> covalent functionalized MoS <sub/>2</sub> monolayer: electronic and transport properties
摘要： Inspired by Benzene (Bz) derivatives dramatically enhancing MoS2 monolayer electronic properties (ACS Nano. 2015, 9, 6018–6030), we have investigated electronic and transport properties of (Bz)n/MoS2 and (VBz)n/MoS2, which are designed by grafting (Bz)n and (VBz)n arrays onto 2D monolayer MoS2 (ML-MoS2), respectively, using density functional theory (DFT) and non-equilibrium Green’s function (NEGF) methods. ML-MoS2 provides a perfect substrate for grafting (Bz)n and (VBz)n arrays upon its surface as a result of stable covalent binding energy with -3.841 eV and -1.953 eV for (Bz)n/MoS2 and (VBz)n/MoS2 respectively. From the electronic properties, we can find that grafting (Bz)n onto the ML-MoS2 surface turns ML-MoS2 from typical semiconductor to metallic properties because four wide bands coupled by (Bz)n and MoS2 in (Bz)n/MoS2 show better delocalization in heterointerface, resulting to these bands across the Fermi level (Ef). Furthermore, the introduction of metal V. Transport properties of ML-MoS2, (Bz)n/MoS2 or (VBz)n/MoS2 for two-probe devices are all studied in zigzag and armchair direction. The ferromagnetic (VBz)n/MoS2 shows a spin polarized transport characteristic, spin-down state gives a higher conductivity than spin-up state. By comparison the zigzag direction is the preferential pathway for electron transport. Finally this work suggests that the novel (VBz)n nanowire grafted on MoS2 should have potential application in low-dimensional magnetic nanoelectronic devices.
关键词： (Bz)n/MoS2,(VBz)n/MoS2,covalent functionalized,electronic property,transport property
更新于2025-09-23 15:22:29
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Synthesis and luminescent properties investigation of novel red emission phosphors Ca7Zn2(PO4)6: Re3+ (Re?=Eu, Sm and Pr)
摘要： A series of new red emission phosphors Ca7Zn2(PO4)6: Re3+ (Re3+ = Eu3+, Sm3+ and Pr3+) are synthesized by solid state reaction. The crystal structure and microstructure are systematically investigated by X-ray diffraction Rietveld structure refinement, scanning electron microscopy and energy dispersive spectrometer. The photoluminescence properties of Ca7Zn2(PO4)6: Re3+ (Re3+ = Eu3+, Sm3+ and Pr3+) are studied in detail. The results show that Eu3+ single doped Ca7Zn2(PO4)6 could emit red emissions with dominate peaks at 612 nm, 602 nm and 612 nm, respectively, which are attributed to the characteristic transitions (5D0-7F2, 4G5/2-6H7/2 and 3P0-3H6) of Eu3+, Sm3+ and Pr3+. The concentration dependent emission spectra of Ca7Zn2(PO4)6: Sm3+ are studied as well. A charge compensator Li2CO3 is added in Sm3+ doped Ca7Zn2(PO4)6 and the emission intensity is compared with the commercial red phosphor Y2O3:Eu3+. The room temperature fluorescence lifetimes of Ca7Zn2(PO4)6: Re3+ (Re3+ = Eu3+, Sm3+ and Pr3+) are measured and the average lifetimes are evaluated. Finally, the Commission Internationale de L'Eclairage chromaticity coordinates and their color purity are calculated.
关键词： Phosphor,Optical property,Luminescent property
更新于2025-09-23 15:22:29
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Two novel ESIPT benzothiazol derivatives and corresponding europium(Ⅲ) complexes: Synthesis and fluorescent properties
摘要： Two ESIPT benzothiazol derivatives and corresponding europium complexes were synthesized and characterized by the 1HNMR spectrum, Mass spectrum, Elemental analysis, UV–Vis analysis, Molar conductivity, Thermogravimetric analysis and FTIR analysis. The fluorescence intensity of the ligands and complexes are compared, and the fluorescence quantum yields are also calculated by the reference method. The results show that two ligands emit orange fluorescence due to the ESIPT process, but both complexes emit red fluorescence after coordinating with Eu3+. Compared with the ligands, the fluorescence intensity and fluorescence quantum yield of the complexes are enhanced, and the monochromaticity is also improved. Because of the stable tetradentate coordination, the fluorescence intensity of EuL7(NO3)3·2H2O is the strongest, and the order of fluorescence intensity is EuL7(NO3)3·2H2O > EuL6(NO3)3·2H2O > Ligand 6 > Ligand 7, so does the fluorescence quantum yields. The electrochemical properties of the complexes show that the HOMO energy level of EuL7(NO3)3·2H2O is higher than that of EuL6(NO3)3·2H2O, but LUMO energy level is lower than that of EuL6(NO3)3·2H2O. These ligands and complexes have potential applications in the field of life sciences and optical materials.
关键词： Electrochemical property,Benzothiazol derivative,Synthesis,ESIPT,Europium complex,Fluorescence property
更新于2025-09-23 15:22:29
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Structural, electronic and optical properties of InAs phases: by GGA-PBG and GGA-EV approximations
摘要： Structural, electronic and optical properties of InAs are investigated in the zinc-blende (ZB), rock-salt (RS) and wurtzite (WZ) phases using the full potential linearised augmented plane wave method in the framework of density functional theory (DFT). The electronic band gap of the ZB and WZ phases are improved and in good agreement with experiments by GGA-EV approximation. This compound has a direct band gap in the ZB and WZ phases in Γ point at the centre Brillouin zone and in the RS phase the conduction band crosses towards the valence band and has metallic behaviour. Also, the optical parameters such as the real and imaginary parts of epsilon, energy loss, and the refraction and reflection indices of all the phases are calculated and compared. The calculated optical properties of InAs have promising applications such as the design of optoelectronic and photonic devices.
关键词： density functional theory,optical property,GGA-EV,electronic property,InAs
更新于2025-09-23 15:22:29
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Numerical and experimental analysis of the effect of metal tie layers on improving electrical properties of gold coated poly (dimethylsiloxane) flexible multi-layered films during folding
摘要： To improve folding electrical properties of flexible electronics, this study presents a new adhesive stress analysis of depositing an adhesion layer between the conductive film electrode and the flexible substrate during folding test by a folding test platform. The folding test platform controls folding curvature of the flexible conductive substrates, folding times, and velocities in this study. Moreover, the electrical properties of flexible conductive substrates are measured during folding testing by the folding test platform. Eventually, this study successfully analyzes residual strain, adhesive stress, and electrical properties of flexible gold coated on polydimethylsiloxane substrates with chromium, nickel, and titanium adhesion layers up to 0.5/cm folding curvature during folding testing. The chromium adhesion layer had the best performance based on the largest adhesive stress, only 3.74 X resistance increase and 4.53 X maximum resistance up to 0.5/cm folding curvature during folding test by a folding test platform. The experimental result with chromium adhesion layer is consistent with adhesive stress analysis and provides a better adhesive strength between gold and polydimethylsiloxane than nickel and titanium materials for folding test. Therefore, adhesive stress analysis is adapted to evaluate the foldable electronics performance for improving folding characteristics easier.
关键词： flexible electronics,Folding electrical property,folding test platform,adhesive stress analysis,adhesion layer
更新于2025-09-23 15:22:29
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The microstructure and optical property of Na-doped ZnO system by sol-gel method
摘要： Pure and Na-doped ZnO (2 at.%, 5 at.% and 10 at.%) films are synthesized by sol-gel method and annealed at 500 °C for 4 h. The as-synthesized nanoparticles are characterized by X-ray powder diffraction (XRD), field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) with energy dispersive X-ray spectroscopy (EDS). The samples exhibited hexagonal ZnO lattice structure and another Na2O2 phase was detected in the 5 at.% Na-doped ZnO sample. The calculated average crystalline size increases from 42.0 nm to 43.5 nm when Na content increased from 0 to 10 at.%. FESEM and TEM analysis identifies that the average size of the Na-doped ZnO nanoparticles lies in between 50 nm and they appear in spheroid-like or rod-like shape. The transmittance of the sample was above 80% and the results of photocatalytic activity show that Na-doped ZnO nanoparticles exhibit higher photodegradation activity (about 91%) than pure ZnO nanoparticles under UV irradiation.
关键词： microstructure,Na-doped,photocatalytic activity.,transparent property,ZnO
更新于2025-09-23 15:22:29
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Enhanced UV emission of TiO <sub/>2</sub> –ZnO nanocomposite films synthesized by simplified sol–gel dip-coating method
摘要： TiO2–ZnO composite film was regarded as a promising candidate for UV emitter devices. For exploring a lower cost and convenient preparation method for highly efficient UV-emission TiO2–ZnO composite film, we used a simplified method in which mixing ZnO sol and TiO2 sol directly to prepare TiO2–ZnO nanocomposite films with a varied atomic ratio of Zn/(Ti + Zn) (TiO2, Z20, Z40, Z60, Z80, ZnO) on glass substrates and discussed its optical properties for the first time in this study. The photoluminescence (PL) spectra indicated that the UV emission of the composite films was greatly enhanced compared with that showed by single-phase TiO2 or ZnO film. In particular, the UV emission intensity of Z60 composite film was enhanced by a factor of 10 compared to that of single-phase ZnO or TiO2. The enhanced PL intensity of the composite films could be attributed to fluorescence resonance energy transfer (FRET).
关键词： TiO2–ZnO Nanocomposite Films,Optical Property,Simplified Sol–Gel Method,FRET
更新于2025-09-23 15:22:29
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Opto-electronic platform tracking control of multi-rotor unmanned aerial vehicles based on composite disturbance compensation
摘要： Airborne opto-electronic platforms are very important in unmanned aerial vehicle systems. The stability and tracking performance of airborne opto-electronic platforms are easily affected by disturbance factors, making compensating for those disturbances a very prominent issue. In this paper, compared to the traditional disturbance observer, an improved velocity signal based disturbance observer (IVDOB) is particularly designed to compensate for the disturbance. Then its capability, robustness, and stability are discussed. For improving the stabilization accuracy and tracking performance of airborne opto-electronic platforms, the universal approximation property of fuzzy systems is used to compensate the disturbance further and an adaptive fuzzy control system based on IVDOBs is proposed. To validate the scheme, a series of experiments were carried out. The results show that the proposed control scheme can achieve reliable control precision and satisfy the requirements of airborne opto-electronic platform tasks.
关键词： Multi-rotor unmanned aerial vehicle,airborne opto-electronic platform,composite disturbance compensation,disturbance observer,approximation property
更新于2025-09-23 15:22:29