Ab initio studies of novel carbon nitride phase C2N2(CH2)

Article ID	Journal	Published Year	Pages	File Type
5374066	Chemical Physics	2013	8 Pages	PDF

Abstract

âº The structural properties are studied at ambient condition as well as high pressure. âº Orientation dependences of the elastic moduli for orthorhombic symmetry are obtained. âº The thermodynamic properties of C2N2(CH2) are systematically studied. âº The electronic properties of C2N2(CH2) are studied.

Keywords

Elastic properties Thermodynamic properties Ab initio calculations Nitrides

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Ab initio studies of novel carbon nitride phase C2N2(CH2)

Authors

Qun Wei, Meiguang Zhang, Lixin Guo, Haiyan Yan, Xuanmin Zhu, Zhengzhe Lin, Ping Guo,