لوحة التحليلات

DFT global optimization of gas-phase subnanometer Ru–Pt clusters

DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters

Investigation of the physical properties and pressure-induced band gap tuning of Sr3ZBr3 (Z= As, Sb) for optoelectronic and thermoelectric applications: A DFT-GGA and mBJ studies

A comprehensive analysis of the structural, phonon, electronic, mechanical, optical, and thermophysical properties of cubic Ca3SbX3 (X= Cl, Br): DFT-GGA and mBJ studies

DFT study of the structure, chemical ordering and molecular adsorption of Pd–Ir nanoalloys

Study on pressure-induced band gap modulation and physical properties of direct band gap Ca3NX3 (X = Cl, Br) for optoelectronic and thermoelectric applications

DFT-based global optimization of sub-nanometer Ni–Pd clusters

A comprehensive analysis of structural, electronic, optical, mechanical, thermodynamic, and thermoelectric properties of direct band gap Sr3BF3 (B= As, Sb) photovoltaic …

Altering CO binding on gold cluster cations by Pd-doping

Effect of palladium doping on the stability and fragmentation patterns of cationic gold clusters