Boron allotropes are known to be predominately constructed by icosahedral B12 cages,while icosahedral-B12 stuffing prove......

运用基于局域密度泛函和赝势的第一性原理方法从理论上研究了非金属杂质C,N,S掺杂锐钛矿相TiO2的晶体结构和电子性质。研究发现,非......