采用了一种新的结构搜索方法,发现了以往报道中没有的新的更低的能量结构,我觉得这种方法比遗传算法、盆地跳跃、粒子群优化算法等更直接有效。希望对今后新的研究课题能有更好的结果。 Qi Liang Lu , Qi Quan Luo, Shou Guo Huang, Yi De Li,Structural transition of (InSb)n clusters at n=6–10, Chem. Phys. Lett ...
Theoretical Study on the Structure and Properties of Helium-Containing Zirconium Hydrides Fusion Science and Technology Volume 65 / Number 3 / May 2014 / Pages 347-354。 自己不熟悉的领域,跟别人合作的,经历千辛万苦,几经易稿,终于发表。看来自己不熟悉的领域不要轻易涉足,对某一个领域的研究 ...
The excess of surface dangling bonds makes the formation of free-standing two-dimensional (2D metals unstable and hence difficult to achieve. To date, only a few reports have demonstrated 2D metal formation over substrates. Here, we show a free-standing crystalline single-atom-thick layer of iron ( ...