Study on the electronic structure of Cr- and Ni-doped fullerenes upon adsorption of adenine: A comprehensive DFT calculation

Diamond and Related Materials - Tập 77 - Trang 116-121 - 2017
Ali Shokuhi Rad1, Sadegh Mehdi Aghaei2, Elahe Aali1, Majid Peyravi3
1Department of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran
2Quantum Electronic Structures Technology Lab, Department of Electrical and Computer Engineering, Florida International University, Miami, FL 33174, United States
3Faculty of Chemical Engineering, Babol University of Technology, Babol, Iran

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