INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...
Orbital-free density functional theory (OFDFT) represents a promising reformulation of quantum mechanics for materials and molecular simulations. By expressing the kinetic energy solely as a ...
Solid electrolytes are neither volatile nor flammable, unlike the liquid electrolytes used in conventional lithium-ion batteries. Discovery of a new lithium-air battery that can store much more energy ...
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