Abstract Thermo-resistant nanoalloys are a new class of materials that combine high-temperature refractory compounds (such as carbides, nitrides, borides, and oxides) with nanoscale particles metals, ceramics, or carbon. These composites exhibit remarkable thermal stability anti-ablation/oxidation properties, making them highly attractive for various applications in aerospace, energy, manufactu...

Summary The ability to alloy different elements is critical for property tuning and materials discovery. However, general alloying at the nanoscale remains extremely challenging due strong immiscibility easy oxidation, particularly early transition metals that are highly reactive. Here, we report using a high-temperature- high-entropy-based strategy (T??Smix) s...

• Migration processes of Bi atoms in Ag surfaces are rare but observed experimentally. DFT calculations carried out to rationalize the miscibility and form nanoalloys. The Ag/Bi interface plays a crucial role stabilizing Ag-Bi Alloying metals that not miscible at solid bulk phase attracted great interest scientific community due their distinctive electronic, optical, catalytic, magnetic propert...

We present extensive temperature dependent (16-70 K) magnetic and electric molecular beam deflection measurements on neutral manganese doped tin clusters Mn/SnN (N = 9-18). Cluster geometries are identified by comparison of electric deflection profiles and quantum chemical data obtained from DFT calculations. Most clusters adopt endohedral cage structures and all clusters exhibit non-vanishing ...

The structures and properties of 13-atom silver and copper bimetallic clusters are systematically investigated by density functional theory (DFT) in the theoretical frame of the generalised gradient approximation (GGA) exchange-collection function. Optical absorption, Raman spectra, vibrational spectra, as well as electronic and magnetic properties are calculated by DFT/GGA and semi-core pseudo...