MgH <sub>2</sub>-Nb体系解氢能力与电子结构的第一原理计算

周惦武, 张健, 徐少华, 彭平, 刘金水

First-principles Calculation of Electronic Structure and Dehydrogenating Properties of MgH ₂-Nb Systems

ZHOU Dian-Wu, ZHANG Jian, XU Shao-Hua, BANG Beng, LIU Jin-Shui

化学学报 . 2010, (10): 955 -960 .