Using the first-principles molecular dynamics simulations,we demonstrate that the penetration of lithium atoms into a silicon nanowire (SiNW) self-stops once a metallic amorphous Li-Si shell forms.
At first part,I will present the G and 2D bands shift of strained bilayer graphene by Raman spectra.Our experimental results show that both G and 2D bands of PMMA-coated graphene were stiff and broad
We have studied the atomic and electronic structures of p-benzoquinone (C6H4O2) on Si(100) surface by using density functional theory calculation within a slab model.
Crystal structure prediction starting from the chemical composition alone has been one of the long-standing challenges in theoretical solid state physics and materials science [1,2].