Bhuvaneswari, R.Nagarajan, VChandiramouli, R.
12页查看更多>>摘要：The potent removal of the chlorinated persistent organic pollutants (POPs) that are categorized as "Dirty Dozen" by the Stockholm Convention - Aldrin and Dieldrin, by (8,8) armchair blue-Phosphorene nanotube (blue-PNT) is explored in the study by utilising the density functional framework. Besides, the structural firmness of the chief component is affirmed from the negative magnitude of cohesive formation energy (-3.766 eV per atom). Further, the significant interaction features of the POPs interacted blue-PNT like the supreme adsorption energy, average band gap variation, and desirable Bader charge transfer proposes the utility of blue-PNT to remove the POPs - aldrin and dieldrin.
原文链接:
NSTL
Elsevier
EL-Shabaan, M. M.Gaml, Eman A.
12页查看更多>>摘要：Thin films of HPQC were processed using thermal deposition technique. The optical properties of the HPQC films were studied for application as optical sensor. The effect of film thickness and the effect of ultraviolet radiation on optical properties were studied. The emission properties of HPQC thin film are studied and it is found to have blue color emission. It was found that UV irradiation decreased the bandgap of HPQC film. A heterojunction device with the structure Au/HPQC/p-Si/Al was fabricated to perform as a photo diode. The characteristics of the heterogenous device were studied. The device was found to respond to temperature and illumination. The applicability of current limitation mechanisms in the reverse bias were studied. The responsivity and detectivity of the device to illumination were also studied and were found to act as functions of illumination power and voltage.
原文链接:- NSTL
- Elsevier
Kple, J.Hontinfinde, F.Albayrak, E.
8页查看更多>>摘要：The random transverse crystal field (RTCF) chosen to be along the x-axis is applied to the spin-1 Blume-Capel (BC) model and the mean-field approximation (MFA) is employed to investigate the behaviors of order-parameters and to obtain its phase diagrams. The selected form of the RTCF is in a bimodal form which is either turned on with probability p or turned off with 1 - p on the sites of spin-1. The effects of the longitudinal and transverse crystal fields, i.e. D-2 and D-x respectively, number of nearest-neighbors (NN) q, bilinear exchange interaction parameter J between the NN spins along the z-axis and temperature are analyzed in detail. The emphasis is given to the square lattice with q = 4. It is found that the model displays first- and second-order phase transitions with the existence of tricritical point (TCP), critical end-points (CEP) and end-points (EP).
原文链接:- NSTL
- Elsevier
Silva, Rodolfo N.Botas, Alexandre M. P.Brandao, DavidBastos, Veronica...
8页查看更多>>摘要：Hyperspectral microscopy is an intriguing technique combining spectroscopy with optical microscopy that can be used to simultaneously obtain spectral and spatial information. The relevance of hyperspectral imaging in biomedical applications such as the monitoring of bioimaging agents, the identification of pathogens and cancerous cells, and the cellular uptake of nanoparticles has emerged recently, due to recent advances in optical reconstruction. The location and tracking of particles within the cell structure have been analyzed by 2D hyperspectral imaging of non-fluorescence objects, being examples of 3D localization uncommon. Here, we report the synthesis of Yb3+/Er3+-codoped Gd2O3 nanoparticles, their structural and luminescence characterization, and their biocompatibility assessments in Human melanoma (MNT-1 and A375) cell lines. The internalization of the particles by MNT-1 cells and their 3D localization in a fixed configuration are addressed through 2D optical images acquired in different planes along with the cell culture depth. 2D hyperspectral imaging is used to unequivocally identify the nuclei and the nanoparticles. The results indicate that the particles are distributed in distinct planes deep in the cell volume in the cytoplasmic and perinuclear regions. Furthermore, the emission signature of the nanoparticles enabled the determination of the intracellular temperature.
原文链接:- NSTL
- Elsevier
Platonenko, AlexanderPascale, FabienEl-Kelany, Khaled E.Gentile, Francesco Silvio...
5页查看更多>>摘要：The effect of the charge of a point defect on the infrared spectrum and the hyperfine coupling constants is discussed with reference to the VO defect in silicon. Five charge states have been considered, from +2e to -2e. Calculations are performed by using a local Gaussian type basis set and the B3LYP hybrid functional. The dominant peak in the IR spectrum increases linearly from 708 cm(-1) (+2 charge), to 904 cm(-1) (-2 charge). The intensity decreases from 4073 to 1727 km/mol, as a consequence of the reduced polarity of the Si-O bond. Also the hyperfine constants differ by large percentages along the series. Although limited to a single defect, the present study shows that both the IR and EPR techniques are able to discriminate the charge state of the defect, also in the cases in which more than one charge state is present in the same sample.
原文链接:- NSTL
- Elsevier
Boubekri, AbderrazakElmaddahi, ZakariaFarchakh, AbdeslamEl Hafidi, Mohamed...
11页查看更多>>摘要：An effective field method has been employed to study the magnetic properties of a ferrimagnetic mixed-spin Ising trilayer nanographene structure. The system is formed by alternate layers of two different spins atoms A (spin-1) and B (spin-1/2) arranged in a particular fashion A-B-A for which the nearest-neighbor spins of each layer are coupled ferromagnetically (JA and JB), whereas the cross atom interaction A-B (interlayer) is antiferromagnetic (JAB). We examined the effects of interlayer (or intra-layer) exchange coupling and single-ion anisotropy on the magnetization curves of the system. We found that the antiferromagnetic inter-layers (JAB < 0) coupling and the single-ion anisotropy have a dominant factor in the occurrence of the single or the double compensation temperature. We also deeply examined the occurrence of hysteresis loops and their various unusual forms. The results obtained are discussed in detail as a function of the main parameters of the magnetic Hamiltonian. Finally, we noticed that our results are in line with other recently reported theoretical and numerical studies.
原文链接:- NSTL
- Elsevier
Wang, ZitaoPan, YongLi, TianyouWu, Kai...
5页查看更多>>摘要：Two-dimensional (2D) nonlinear optical (NLO) materials with large flexibility possess application advantages for phototransistors and flexible laser fields. In this work, we studied the electronic, mechanical and NLO properties of 2D LiXY2 (X = Al, Ga, In; Y--S, Se, Te) monolayers via first-principles calculations. Theoretical results suggest that their bandgaps, which determine laser damage threshold (LDT) and harmful two-photon absorption (TPA), are as wide as that of typical 2D NLO materials single-layer GaSe and MoS2. The large energy gap between In-5s and Y-pz states will help single-layer LiXY2 to avoid TPA in a wide range of optical energies. Their NLO coefficients are comparable to that of bulk AgGaS2 and single-layer GaSe. Moreover, 2D LiXY2 monolayers are stable under mechanical distortion, and even more flexible than single-layer GaSe and MoS2. Overall, this work supplies a group of 2D materials exhibiting superiority as flexible NLO devices in nanotechnology.
原文链接:- NSTL
- Elsevier
Sheng, Si-YuanZhao, Yang-Yang
7页查看更多>>摘要：The properties of Cs2TiI6-xBrx using density functional theory were investigated. With the increase of Br doping, the structural stability is improved. Then the pressure is introduced to change the energy gap of Cs2TiI6-xBrx. Meanwhile, the optical absorption coefficient changes obviously with both pressure and Br doping. The major absorption region narrows and the peak value becomes higher with the increasing of pressure. While the peak value starts with a small decrease and then a rise with Br doping. Normalized the absorption rate and compared with the wavelength in sunlight, we get the optical coincidence index (OCI). These results demonstrate that under the influence of doping, both Cs2TiI2Br4 and Cs2TiI3Br3 are suitable materials for solar cells. When the pressure increases, the stability of Cs2TiI6-xBrx is enhanced, while the optical absorption is attenuated. Based on suitable absorption coefficient and strong OCI, Cs2TiI2Br4 and Cs2TiIBr5 are ideal light harvesting materials.
原文链接:- NSTL
- Elsevier
Nagar, AnshikaKumar, AvshishTyagi, UtkarshDhasmana, Hrishikesh...
10页查看更多>>摘要：Herein, an ultrafast, sensor has been developed for trace-level detection of Ammonia (NH3) gas using hexagonal-shaped ZnO nanoparticles (NPs). The ZnO NPs were grown by low-cost eco-friendly green synthesis process and characterized by various techniques. The electron microscopic images reveal the synthesis of uniform, highly dense and hexagonal-shaped ZnO NPs. The UV-Vis spectra illustrate a band gap of 3.89eV. XRD, XPS and Raman studies explain the high-quality hexagonal wurtzite-structure of ZnO NPs showing presence of electronic/chemical states of ions. The NH3 gas sensing properties of ZnO NPs were evaluated at different concentrations. The sensor exhibited an excellent response value of 2.5 at 5 ppm NH3 wherein quick response time was 5 s and fastest recovery time was 8 s. The sensing results could be attributed to the optimum number of oxygen species and active sites which are responsible for enhanced performance of the developed ZnO NPs based sensor.
原文链接:- NSTL
- Elsevier
