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采用溶胶凝胶法制备不同Ce含量的Ce-Cu共掺杂SnO2薄膜,通过实验及第一性原理计算研究了掺杂对SnO2微观结构及光电特性的影响.结果表明,掺杂后薄膜物相未发生较大变化,Cu,Ce均以替代Sn位形式掺入,形成Cu2+Sn,Ce3+Sn受主型缺陷.随Ce掺杂浓度增加,薄膜晶粒尺寸和光学带隙均减小,电阻率先减小后增大,Ce掺杂量影响薄膜内陷阱分布从而导致电阻发生改变.PL光谱测试发现,SnO2在390 nm处出现紫外发光峰,主要与O空位有关,Ce3+的5d→4f跃迁在470 nm处产生蓝光发光峰,且随掺杂浓度增加发光峰强度先增大后减小并发生红移.第一性原理计算表明,Cu 3d态在价带顶上方产生受主能级,而Ce掺杂后使导带整体下移,光带隙减小,进而提高导电性.

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