The feasible screening of genuine fresh palmyrah toddy and sugar or rice toddy using near-infrared spectroscopy.

The use of combination of Near-Infrared (NIR) absorption spectroscopic and k-mean multivariant statical cluster analysis as a screening tools for genuine fresh palmyrah toddy(G.F) and sugar (ATS) or rice toddy(ATS) is discussed. The quick and simple screening methods to ensure the authenticity of G.F is prime important to keep up its commercial value. Here we performed NIR spectroscopic analysis, k-mean multivariant analysis, and hierarchical cluster analysis to screen the G.F from ATR and ATS. For comparison, we performed chemical analysis and distinguished G.F from ATR and ATS. However, based on the NIR spectroscopic analysis together with the multivariant analysis G.F quickly screened from ATR and ATS. The plot of k-means cluster analysis and hierarchical cluster analysis shows three distinct clusters and it could be a useful tool to quickly screen the genuine toddy from artificial toddy.

Defects, Diffusion, and Dopants in Li2Ti6O13: Atomistic Simulation Study.

In this study, force field-based simulations are employed to examine the defects in Li-ion diffusion pathways together with activation energies and a solution of dopants in Li2Ti6O13. The lowest defect energy process is found to be the Li Frenkel (0.66 eV/defect), inferring that this defect process is most likely to occur. This study further identifies that cation exchange (Li-Ti) disorder is the second lowest defect energy process. Long-range diffusion of Li-ion is observed in the bc-plane with activation energy of 0.25 eV, inferring that Li ions move fast in this material. The most promising trivalent dopant at the Ti site is Co3+, which would create more Li interstitials in the lattice required for high capacity. The favorable isovalent dopant is the Ge4+ at the Ti site, which may alter the mechanical property of this material. The electronic structures of the favorable dopants are analyzed using density functional theory (DFT) calculations.

Defects, Dopants and Lithium Mobility in Li 9 V 3 (P 2 O 7 ) 3 (PO 4 ) 2.

Layered Li9V3(P2O7)3(PO4)2 has attracted considerable interest as a novel cathode material for potential use in rechargeable lithium batteries. The defect chemistry, doping behavior and lithium diffusion paths in Li9V3(P2O7)3(PO4)2 are investigated using atomistic scale simulations. Here we show that the activation energy for Li migration via the vacancy mechanism is 0.72 eV along the c-axis. Additionally, the most favourable intrinsic defect type is Li Frenkel (0.44 eV/defect) ensuring the formation of Li vacancies that are required for Li diffusion via the vacancy mechanism. The only other intrinsic defect mechanism that is close in energy is the formation of anti-site defect, in which Li and V ions exchange their positions (1.02 eV/defect) and this can play a role at higher temperatures. Considering the solution of tetravalent dopants it is calculated that they require considerable solution energies, however, the solution of GeO2 will reduce the activation energy of migration to 0.66 eV.