Insights into water permeation through hBN nanocapillaries by ab initio machi...

Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A...本研究采用大规模从头算精度分子动力学模拟，对构成二维纳米通道的堆叠六方氮化硼（hexagonal boron nitride, hBN）片层间的水渗透行为展开了探究。A...