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Title

COMPARISION BETWEEN LI@C59X (X=B, N) AND C60 MOLECULESʼ BAND GAP

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Abstract

 INTRODUCTION: THE PURE AND DOPED FULLERENESHAVE MANY APPLICATIONS ANDARE VERY USEFUL IN MILITARY, MEDICINE, NANO-TECHNOLOGY AND MANY OTHER FIELDS DUE TO THEIR EXTREMELY RESILIENT, STURDYQUITE STABLE NATURE.THE SPINTRONIC AND OPTOELECTRONIC ARE DEPENDING ONFINDING AND UTILIZINGNEW SEMICONDUCTORSTO KEEP THEMMOVING FORWARD. THEREFORE, THE ELECTRONIC AND GEOMETRIC STRUCTURES OFNEW MATERIALS ARE OF BASICINTEREST TO THEUNDERSTANDING OF MATERIALS FORMATION AND PROPERTIES. IN THIS STUDY, WE DOPED C60 FULLERENE AND SHOWD THE BAND GAP OF THE C60CAGE DECREASES GREATLY BY THE N AND X DOPING.

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