Defect Chemistry of the Metal Cation Defects in the p- and n-Doped SnO2 Nanocrystalline Films
Defect Chemistry of the Metal Cation Defects in the p- and n-Doped SnO2 Nanocrystalline Films
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DOI：
10.1021/jp503059e
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发表时间：
2014-07
影响因子：
3.7
通讯作者：
Guozhu Zhang;C. Xie;Shunping Zhang;Shasha Zhang;Yang Xiong
中科院分区：
文献类型：
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作者：
Guozhu Zhang;C. Xie;Shunping Zhang;Shasha Zhang;Yang Xiong
阳离子间隙缺陷和替代缺陷被认为是掺杂SnO 2中两种重要的缺陷结构，对材料的性能起着关键作用。为了更清楚地表征这些金属阳离子缺陷，利用气敏材料高通量筛选平台进行了温度相关电导测量，首次在无氧气氛中对p型（Li+，Cd 2+，Al 3+）、等价（Ti 4+）和n型（Nb 5+，W 6+）掺杂SnO2纳米晶薄膜的缺陷结构进行了研究。温度依赖性的测量表明，微妙的诱导杂质是能够明显修改的SnO2的导电机制。根据小极化子跳跃机制，提出了一个改进的缺陷化学模型，明确描述了金属阳离子缺陷的性质。计算了金属阳离子缺陷和电子跳跃能的电离能（Δ艾德）。
Cationic interstitial and substitutional defects, which serve as a key role in shaping the material’s performance, are considered as two kinds of important defect structures in the doped SnO2. To give a clear characterization of such metal cation defects, temperature-dependent electrical conduction measurement by the high throughput screening platform of gas-sensing materials is carried out, for the first time, to perform the defect structure studies of the p-type (Li+, Cd2+, Al3+), isovalent (Ti4+), and n-type (Nb5+, W6+) doped SnO2 nanocrystalline films in the oxygen-free atmosphere. The temperature-dependent measurements indicate that subtle induced impurities are capable of evidently modifying the electrical conduction mechanism of the SnO2. In terms of the small-polaron hopping mechanism, an improved defect chemical model is proposed in which the properties of the metal cation defects are explicitly depicted. Values for the ionization energy (ΔED) of the metal cation defects and electron hopping ener...