A full potential all-electron density functional method within generalized gradient approximation is used herein to investigate correlations of the electronic, elastic and thermo-electric transport properties of cubic copper sulphide and copper selenide. The electronic band structure and density of states suggest a metallic behaviour with a zero-energy band gap for both materials. Elastic property calculations suggest stiff materials, with bulk to shear modulus ratios of 0.35 and 0.44 for Cu₂S and Cu₂Se, respectively. Thermo-electric transport properties were estimated using the Boltzmann transport approach. The Seebeck coefficient, electrical conductivity, thermal conductivity and power factor all suggest a potential p-type conductivity for α-Cu₂S and n-type conductivity for α-Cu₂Se.

The as-prepared (Co₃O₄) and hydrazine-treated (Co₃O₄(H)) cobalt catalysts were prepared using the precipitation method and evaluated at a temperature range of 40–220 °C for preferential oxidation (PROX) of CO in excess hydrogen. An improved surface reducibility with smaller crystallite size was noted on hydrazine-treated cobalt species (i.e., Co₃O₄(H) catalyst), which indicates some surface transformation. This finding correlates with the surface roughness formation (as depicted by scanning electron microscope (SEM) and transmission electron microscope (TEM) data), which was further confirmed by an increase in the Brunauer–Emmett–Teller (BET) surface area. The mesoporous structure of the Co₃O₄(H) catalyst remained intact, as compared to that of the Co₃O₄ catalyst. Interestingly, the in situ treatment of the standalone Co₃O₄(H) catalyst decreased the maximum CO conversion temperature (T_100%) from 160 °C (over Co₃O₄) to 100 °C, with good selectivity. The Co₃O₄(H) catalyst showed good stability, with approximately 85% CO conversion at 100 °C for 21 h, as compared to a faster deactivation of the Co₃O₄ catalyst. However, the Co₃O₄(H) catalyst was unstable in both CO₂ and the moisture environment. Based on the evaluation of spent hydrazine-treated (CoO(H)) cobalt catalyst, the high PROX activity is associated with the formation of Co³⁺ species as confirmed by X-ray diffraction (XRD), X-ray photoelectron spectra (XPS), and temperature-programmed reduction (TPR) data.

Au- and Ag-nanoparticles were synthesized and conjugated with fibrin protein samples through a sodium citrate-induced method for possible 'AuNPs+fibrin' and 'AgNPs+fibrin' corona formation adsorption studies. Average spherical diameter sizes of 11, 18, 45, and 50 nm of Au-nanoparticles and 12, 14, and 26 nm of Ag-nanoparticles were considered for the conjugation process. The possible formation of 'AuNPs+fibrin' and 'AgNPS+fibrin' coronas through adsorption of fibrin protein molecules onto Au- and Ag-nanoparticles was verified using UV-vis and FTIR spectroscopies, ζ-potential, and TEM imaging. UV-vis red shift was observed on fibrin-conjugated AuNPs+fibrin/AgNPs+fibrin coronas relative to the unconjugated Au-/Ag-nanoparticles. FTIR spectra provided traces of possible fibrin functional atoms' bonding with Au- and Ag-nanoparticle surface atoms. TEM imaging was also utilized to observe and estimate nanoparticle distribution and sizes. A different nature of conjugation mechanism was noted on Au-/Ag-nanoparticles and fibrin protein molecules. Unconjugated Au-nanoparticles materialize as agglomerates of nanoclusters, while fibrin-conjugated AuNPs+fibrin coronas appear as dispersed individual random nanoparticles. On the other hand, unconjugated Ag-nanoparticles occur as scattered irregular individual nanoparticles that agglomerate into AgNPs+fibrin corona nanoclusters upon conjugation with fibrin protein molecules. Conjugated fibrin proteins do not lose their conformational structure or functional property.

A full potential all-electron density functional method within generalized gradient approximation is used to investigate the electronic, elastic and transport properties of cubic copper sulphide and copper selenide. The electronic structure suggests metallic behavior with a zero energy band gap for both materials. Elastic property calculations suggest a stiff material with the bulk to shear modulus ratio of 0.35 and 0.44 for Cu2S and Cu2Se respectively. The transport properties were estimated using the Boltzmann transport approach. Seebeck coefficient, electrical conductivity, thermal conductivity, and power factor all suggest a potential p-type conductivity for Cu2S and n-type conductivity for Cu2Se.