Subrahmanyam Sappati | Searcharxiv

arXiv2025

Reactive Glass Metal Interaction under Ambient Conditions Enables Surface Modification of Gold Nanoislands

Stabilizing gold nanoparticles with tunable surface composition via reactive metal support interactions under ambient conditions remains a significant challenge. We discovered that a reactive glass metal interaction (RGMI) under ambient conditions, driven by the intrinsic catalytic activity of gold nanoislands (GNIs) and the unique properties of sodium aluminophosphosilicate glass, including its chemical composition, molar volume, and high Na ion mobility, enables the formation of robustly anchored GNIs with altered surface compositions. Comprehensive characterization reveals that the adsorption of Na and P at the GNI surfaces induces lattice distortions in the Au(111) planes. Additionally, a smooth GNI glass interface significantly influences the hot carrier dynamics of the GNIs. Altogether, RGMI presents a versatile strategy for engineering stable, multi element nanostructures with potential applications in heterogeneous catalysis, sensing, and optoelectronics.

cond-mat.mtrl-sci↗

arXiv2021

Ab-initio investigations for Structural, Mechanical, Optoelectronic, and Thermoelectric properties of Ba2SbXO6 (X=Nb, Ta) compounds

We report the structural, mechanical, electronic, optical, thermoelectric properties and spectroscopic limited maximum efficiency (SLME) of oxide double perovskite structure Ba2SbNbO6 and Ba2SbTaO6 compounds. All the investigations were performed through the first-principles density functional theory (DFT). The obtained values for the elastic constants reveal the mechanical stability of the studied compounds. The calculated data of bulk modulus (B), shear modulus (G), and Young's modulus (E) for Ba2SbTaO6 are found to be greater than those of Ba2SbNbO6. The ratio of Bulk to shear ratio (B/G) shows that Ba2SbNbO6 and Ba2SbTaO6 are ductile. The computed electronic band structure reveals the semiconducting nature of both compounds. We have also studied the electron relaxation time-dependent thermoelectric properties, such as Seebeck coefficient, thermal conductivity, electrical conductivity, thermoelectric power factor, and the figure of merit as a function of chemical potential at various temperatures for p-type and n-type charge carriers. The high absorption spectra and good figure of merit (ZT) reveal that both the studied compounds, Ba2SbXO6 (X = Nb, Ta) are promising materials for photovoltaic and thermoelectric applications. The calculated SLME of 26.8% reveals that Ba2SNbO6 is an appealing candidate for single-junction solar cells.

cond-mat.mtrl-sci↗