First-principles study on the effect of high In doping on the conductivity of ZnO

Based on the density functional theory （DFT）, using first-principles plane-wave ultrasoft pseudopotential method, the models of the unit cell of pure ZnO and two highly In-doped supercells of Zn0.9375In0.0625O and Zn0.875In0.125O are constructed, and the geometry optimizations of the three models are carried out. The total density of states （DOS） and the band structures （BS） are also calculated. The calculation results show that in the range of high doping concentration, when the doping concentration is hihger than a specific value, the conductivity decreases with the increase of the doping concentration of In in ZnO, which is in consistence with the change trend of the experimental results.

Analysis of Beta-blockers in Doping Control

A retiabte and sensitive method is developed for the detection of β-blockers which are excreted in free or conjugated forms in human urine.9 β-blockers were derivatized by MSTFA and MBTFA and subjected to GC/MSB analysis.Both chromato- grams and mass spectrometric data were obtained from full scanning mode.This method is suitable for routine screening and confirmation of β-blockers in doping control.

A comprehensive modification enables the high rate capability of P2-Na_(0.75)Mn_(0.67)Ni_(0.33)O_(2) for sodium-ion cathode materials

The Na^(+)/vacancy ordering can effectively affect the electrochemical behavior of P2-type cathode material.In this work we proposed an integrated strategy by attaining a high Na content,In^(3+) doping in conjunction with NaInO_(2) coating in the P2-Na_(0.75)Mn_(0.67)Ni_(0.33)O_(2) which can inhibit the sodium vacancy order,smooth the electrochemical curve,and enhance the structural stability and rate capability.A combination of X-ray diffraction analysis and DFT calculation indicate that the In(3+) ions in the Na layer serve as"pillars”to stabilize the layered structure,especially for high current density charging.The P2-Na_(0.75)Mn_(0.67)Ni_(0.33)In_(0.02)O_(2) with an impressive sodium content exhibits a remarkable reversible capacity of 109.6 mAh g^(-1),superior rate capability capacity of 79.8 mAh g^(-1)at 20 C,and 85%capacity retention after 100 cycles at 5 C.This work demonstrates an efficient approach for the comprehensive optimization of sodium ion cathode materials.

Effect of Cr/In-doping on the crystalline quality of bulk ZnTe crystals grown from Te solution by temperature gradient solution growth(TGSG) method

The properties of undoped, Cr-doped, and In-doped bulk ZnTe crystals grown by the TGSG method were compared. Cr/In-doping leads to a slight red-shift of the absorption edge. Cr-doping also creates two characteristic absorption bands, centered at about 1750 nm and beneath the fundamental absorption edge. However, the fundamental reflectance spectra are not sensitive to the dopants. The resistivity of undoped, Cr-doped, and In-doped ZnTe is about 102 Ω.cm, 10^3 Ω.cm, and 10^8 Ω-cm, respectively. Only In-doped ZnTe has an IR transmittance higher than 60% in the range of 500 to 4000 cm-1. However, the IR transmittance of Cr-doped ZnTe is very low and decreases greatly as the wavenumber increases, which is mainly attributed to the scattering effects caused by some defects generated by Cr-doping.