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Fulltext First-principles insights into double perovskite fluorides for energy harvesting applications

Khan MS, Gul B, Alnuwaiser MA, Alghanmi RM, Tashkandi MA, Aziz SM

RSC Adv, 2026 Oct 29;16(47):62436-62455.
PMID: 42866494 DOI: 10.1039/d6ra07489h

The DFT calculations utilizing the FP-LAPW approach were conducted for a detailed study of structural, electronic, optical, elastic, and thermoelectric properties of cubic K2TiHgF6 and Na2TiHgF6 Heusler fluorides. It was found that both materials have a cubic crystal structure of type Fm3̄m and display negative values of formation and cohesion energy, which indicates good thermodynamic stability, with the elastic parameters being consistent with the Born stability criteria. Calculations within the framework of the TB-mBJ approach reveal semiconductor nature, the band gap value for which amounts to 2.14 eV for K2TiHgF6 and 1.88 eV for Na2TiHgF6, with valence and conduction bands being composed of F 2p/Hg 5d and Ti 3d levels, respectively. Based on the optical computations, there are very low values of the static dielectric constant, good transparency below the absorption edge, high ultraviolet absorbance, high optical conductivity, and strong plasmon resonances at 6.5 to 8.0 eV, which suggest good ultraviolet photonic activity. The elastic moduli show moderate stiffness, low compressibility, low elastic anisotropy, and mechanically stable structures, with Na2TiHgF6 being more rigid compared to K2TiHgF6. From the thermoelectric analysis, it is evident that these compounds have with negative Seebeck coefficients, high electrical conductivity, and low thermal conductivity at high temperatures.
Fulltext Performance comparison of EasyFix G26 and HYDRASYS 2 SCAN for the detection of serum monoclonal proteins

Amin Nordin FD, Mohd Khalid MKN, Abdul Aziz SM, Mohamad Bakri NA, Ahmad Ridzuan SN, Abdul Jalil J, et al.

J Clin Lab Anal, 2020 Jun;34(6):e23254.
PMID: 32141626 DOI: 10.1002/jcla.23254

BACKGROUND: Serum protein electrophoresis (SPE) is a widely used laboratory technique to diagnose patients with multiple myeloma (MM) and other disorders related to serum protein. In patients with MM, abnormal monoclonal protein can be detected by SPE and further characterized using immunofixation electrophoresis (IFE). There are several semi-automated agarose gel-based systems available commercially for SPE and IFE. In this study, we sought to evaluate the analytical performance of fully automated EasyFix G26 (EFG26) and semi-automated HYDRASYS 2 SCAN (H2SCAN) for both SPE and IFE.
METHODS: Both instruments were operated according to manufacturer's instructions. Samples used include a commercially available normal control serum (NCS) and patients' specimens. The following were evaluated: precision and comparison studies for SPE, and reproducibility and comparison studies for IFE. Statistical analyses were performed using Microsoft Excel.
RESULTS: For SPE repeatability study, our results showed that EFG26 has higher coefficient of variation (%CV) compared with H2SCAN for both samples except for monoclonal component with %CV of 0.97% and 1.18%, respectively. Similar results were obtained for SPE reproducibility study except for alpha-1 (4.16%) and beta (3.13%) fractions for NCS, and beta fractions (5.36%) for monoclonal sample. Subsequently, reproducibility for IFE was 100% for both instruments. Values for correlation coefficients between both instruments ranged from 0.91 to 0.98 for the five classic bands.
CONCLUSION: Both instruments demonstrated good analytical performance characterized by high precision, reproducibility and correlation.

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