Πλοήγηση ανά Θέμα "Density functional theory simulations"
Αποτελέσματα 1-2 από 2
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Defects, dopants and lithium incorporation in LiPON electrolyte
(2022)Lithium phosphorus oxy-nitride (LiPON) is a candidate solid electrolyte material for potential use in rechargeable lithium-ion batteries. The use of density functional theory simulations has allowed us to gain atomic-scale ... -
Effect of halogen doping on the electronic, electrical, and optical properties of anatase TiO2
(2022)Titanium dioxide (TiO2) is one of the most used oxides in renewable energy applications, such as hydrogen production, photovoltaics, and light-emitting diodes. To further improve the efficiency of the devices, doping ...