First Principles Study on the Adsorption of H2 Molecules on Mg3N2 Surface
- Corresponding author: Zhang Caironga, chenyh@lut.cn
Citation: Chen Yuhong, Liu Tingtinga, Zhang Meiling, Yuan Lihua, Zhang Caironga. First Principles Study on the Adsorption of H2 Molecules on Mg3N2 Surface[J]. Acta Chimica Sinica, ;2017, 75(7): 708-714. doi: 10.6023/A17030107
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(a) two NH; (b) NH+MgH; (c) NH2
(a) NH; (b) NH2; (c) MgH
(a) Before adsorption; (b) After adsorption