Low-Density Nanoporous Phases of Group-Ⅲ Nitrides Built from Sodalite Cage Clusters

来源 :第十七届全国原子与分子物理学术会议 | 被引量 : 0次 | 上传用户：a3799222999

【摘要】

：

We report a new family of M12N12 (M =Al and Ga) cluster-assembled low-density materials with distinguished structures and properties based on state-of-the-art f

【作者】

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Zhifeng Liu Xinqiang Wang Gaobin Liu Ping Zhou Jian Sui Xuefang Wang Hengjiang Zhu Zhilin Hou

【机构】

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CollegeofPhysics,ChongqingUniversity,Chongqing,P.R.ChinaCollegeofPhysics,ChongqingUniversity,Chongqi

【出处】

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第十七届全国原子与分子物理学术会议

【发表日期】

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2013年7期

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We report a new family of M12N12 (M =Al and Ga) cluster-assembled low-density materials with distinguished structures and properties based on state-of-the-art fast-principles calculations.Specifically, the thermodynamic stability of the sodalite cage M12N12, with Th symmetry and a large HOMO-LUMO gap, is firstly proved using a fast-principles molecular dynamics (FPMD)study.

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Low-Density Nanoporous Phases of Group-Ⅲ Nitrides Built from Sodalite Cage Clusters

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