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DFT study of the electronic and structural properties of single Al and N atoms and Al-N co-doped graphyne toward hydrogen storage

Fariba AkbariDepartment of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, IranAdel Reisi‐VananiDepartment of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, IranMohammad Hosein DarvishnejadDepartment of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, Iran
2019en
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