The relation among electronic structure, chemical bond and thermoelectric property of Ca3 Co2 O6 and Ni-doped was studie......

用离散变分密度泛函方法(DFT-DVM)计算了钴酸盐Ca3Co2O6及其掺镍体系,讨论了电子结构,化学键等与热电性能之间的关系.结果表明,价......