Correction: Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study.

Correction for 'Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study' by Keqing Zhang et al., Phys. Chem. Chem. Phys., 2023, 25, 31848-31868, https://doi.org/10.1039/d3cp03795a.

Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study.

In this study, we employ the framework of first-principles density functional theory (DFT) computations to investigate the physical, electrical, bandgap and thermal conductivity of Cs2AgInCl6-CAIC (type I) and Cs2AgSbCl6-CASC (type II) using the GGA-PBE method. CAIC possesses a direct band gap energy of 1.812 eV, while CASC demonstrates an indirect band gap energy of 0.926 eV. The CAIC and CASC exhibit intriguingly reduced thermal conductivity, which can be attributed to the notable reduction in their respective Debye temperatures, measuring 182 K and 135 K, respectively. The Raman active modes computed under ambient conditions have been compared with real-world data, showing excellent agreement. The thermal conductivity values of CAIC and CASC compounds exhibit quantum mechanical characteristics, with values of 0.075 and 0.25 W m-1 K-1, respectively, at 300 K. It is foreseen that these outcomes will generate investigations concerning phosphors and diodes that rely on single emitters, with the aim of advancing lighting and display technologies in the forthcoming generations.

A study to determine the impact of IMPT optimization techniques on prostate synthetic CT image sets dose comparison against CT image sets.

Background: The objective of this study is to determine the impact of intensity modulated proton therapty (IMPT) optimization techniques on the proton dose comparison of commercially available magnetic resonance for calculating attenuation (MRCA T) images, a synthetic computed tomography CT (sCT) based on magnetic resonance imaging (MRI) scan against the CT images and find out the optimization technique which creates plans with the least dose differences against the regular CT image sets. Material and methods: Regular CT data sets and sCT image sets were obtained for 10 prostate patients for the study. Six plans were created using six distinct IMPT optimization techniques including multi-field optimization (MFO), single field uniform dose (SFUD) optimization, and robust optimization (RO) in CT image sets. These plans were copied to MRCA T, sCT datasets and doses were computed. Doses from CT and MRCA T data sets were compared for each patient using 2D dose distribution display, dose volume histograms (DVH), homogeneity index (HI), conformation number (CN) and 3D gamma analysis. A two tailed t-test was conducted on HI and CN with 5% significance level with a null hypothesis for CT and sCT image sets. Results: Analysis of ten CT and sCT image sets with different IMPT optimization techniques shows that a few of the techniques show significant differences between plans for a few evaluation parameters. Isodose lines, DVH, HI, CN and t-test analysis shows that robust optimizations with 2% range error incorporated results in plans, when re-computed in sCT image sets results in the least dose differences against CT plans compared to other optimization techniques. The second best optimization technique with the least dose differences was robust optimization with 5% range error. Conclusion: This study affirmatively demonstrates the impact of IMPT optimization techniques on synthetic CT image sets dose comparison against CT images and determines the robust optimization with 2% range error as the optimization technique which gives the least dose difference when compared to CT plans.

Chitosan complements entrapment of silicon inside nitrogen doped carbon to improve and stabilize the capacity of Li-ion batteries.

A facile strategy to entrap milled silicon (m-Si) particles using nitrogen-doped-carbon (N-C@m-Si) to overcome the dramatic volume changes in Si during intercalation of lithium ions and to improve its electronic conductivity is reported here. The only natural nitrogen containing biomaterial alkaline polysaccharide, i.e., chitosan, is used as the carbon source. Simple hydrothermal technique followed by a subsequent carbonization process is used to synthesize N-C and N-C@m-Si particles. N-C@m-Si exhibited significantly improved electrochemical performance as compared to bare m-Si, which is confirmed by the obtained discharge capacity of 942.4 mAh g-1 and columbic efficiency of 97% after 50 cycles at 0.1C rate. With regard to the N-C electrodes, the obtained discharge capacity of 485.34 mAh g-1 and columbic efficiency of 99.78%, after 50 cycles at 0.1C rate is superior to the commercial graphite electrodes. The solid electrolyte interphase (SEI) layer that formed over m-Si and N-C@m-Si electrodes is characterized using X-ray photoelectron spectroscopy. Compared to the SEI layer that formed over m-Si electrode after 10 charge-discharge cycles, the N-C@m-Si electrode had a stable lithium fluoride and carbonate species. Brief reaction mechanisms, representing the formation of different species in the SEI layer, is derived to explain its behavior during the electrochemical processes.