Hydrogen adsorption on Be, Mg, Ca and Sr doped graphenes: The role of the dopant in the IIA main group

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• 作者：Huijuan Luo ; Hejun Li ; ^{lihejun@nwpu.edu.cn} ; Qiangang Fu ; ^{fuqiangang@nwpu.edu.cn}
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：669
• 期：Complete
• 页码：238-244
• 全文大小：1634 K
• 卷排序：669

文摘

Hydrogen adsorption on IIA elements (Be, Mg, Ca, Sr) doped graphene is investigated. Atomic influencing factors of the dopant in the IIA main group are analyzed. Orbital hybridization and polarization adsorption mechanisms are uncovered.