Nuclear deformations are fundamentally important in nuclear physics.We recently developed a multidimensionally constrain......

基于密度泛函理论(DFT)的投影缀加平面波(PAW)赝势第一性原理,探究了横截面为3×5、3×7、3×9、3X11、3×13和3×15原子层的铁纳......

Aging treatment of Cu-based alloys is essential to enhance their strength that is desirable for their exten-sive enginee......

The relative stability of different crystallographic structures for strongly correlated materials is of special interest......

Compared with the traditional silicon-based solar cells,the dye-sensitized solar cells(DSSCs)have the characteristics of......

Hollow nanoparticles with large specific surface area and high atom utilization are promising catalysts for the hydrogen......

　　The triatomic reaction Al+O2 is regarded as the key step in aluminum combustion.In 2003 Gordon et al[1] performed a ......

P-xylene (p-C8H10) is extremely harmful and dangerous to human health due to high toxicity and strong carcinogenicity.Ex......

针对乙腈加氢反应机理的研究,采用密度泛函理论计算了CH3CN在Ni(100)表面的吸附,并在1/4覆盖度的基础上讨论了表面的吸附结构及吸......