Li, Li, Yao, Xiangdong, Sun, Chenghua, Du, Aijun, Cheng, Lina, Zhu, Zhonghua, ...
Ammonia borane (AB) has attracted tremendous interest for on-board hydrogen storage due to its low molecular weight and high gravimetric hydrogen capacity below a moderate temperature. However, the...
Ab initio studies of hydrogen desorption from low index magnesium hydride surface (2006)
Du, Aijun, Smith, Sean, Yao, Xiangdong, Lu, Gaoqing
The low index Magnesium hydride surfaces, MgH2(0 0 1) and MgH2(1 1 0), have been studied by ab intio Density Functional Theory (DFT) calculations. It was found that the MgH2(1 1 0) surface is more...