Sodium decorated net-Y nanosheet for hydrogen storage and adsorption mechanism: A first-principles study<xref rid="cpb_29_1_016801fn1" ref-type="fn">*</xref> <fn id="cpb_29_1_016801fn1"> <label>*</label> <p>Project supported by the National Natural Science Foundation of China (Grant No. 11804169) and the Natural Science Foundation of Jiangsu Province of China (Grant No. BK20180741).</p> </fn>

Sodium decorated net-Y nanosheet for hydrogen storage and adsorption mechanism: A first-principles study* *

Project supported by the National Natural Science Foundation of China (Grant No. 11804169) and the Natural Science Foundation of Jiangsu Province of China (Grant No. BK20180741).

Wang Yunlei¹, Chen Yuhong^{2, †}, Wang Yunhui^{3, ‡}

Fluctuations in (a) temperature and (b) total energy for Na-decorated net-Y, each as a function of simulation time in first-principles MD simulations at 300 K.