2D pentagonal-graphene and pentagonal-silicene sheets engineered for the dete...

The deposited structure models of DNA adsorbed on prisitne PG/p-Si and metal (Au/W) doped PG/p-Si sheets, have been subjected to first principles calculations based on DFT...本数据集涵盖吸附于原始PG/p-Si及金属（Au/W）掺杂PG/p-Si片材表面的DNA沉积态结构模型，上述模型已基于密度泛函理论（DFT）开展第一性原理计算。