Synthesis of photochromic nanoparticles and determination of the mechanism of photochromism
Synthesis of photochromic nanoparticles and determination of the mechanism of photochromism
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DOI：
10.1063/1.4952424
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发表时间：
2016-05
期刊：
影响因子：
1.6
通讯作者：
S. Inoue;T. Kawamoto;Y. Matsumura;K. Tomita;K. Uchino;K. Takata;H. Kajiyama
中科院分区：
文献类型：
--
作者：
S. Inoue;T. Kawamoto;Y. Matsumura;K. Tomita;K. Uchino;K. Takata;H. Kajiyama
采用等离子体增强化学气相沉积法制备了锌硅氧化物光致变色纳米粒子。这些粒子在紫外线照射下变黑。我们使用密度泛函理论计算研究了这一现象。硅夹杂物会产生陷阱能级和氧缺陷，从而降低ZnO的电离电位。这在ZnO和锌硅氧化物之间形成量子势，并且激发的电子是稳定的。由于氧缺陷也增加了ZnO晶体中锌原子之间的键重叠人口，它们引入了进一步的缺陷，并有助于量子势的形成。完美的ZnO晶体的生长防止了氧缺陷的形成，这对于光致变色是不期望的。
Photochromic nanoparticles of zinc-silicon oxide were synthesized using plasma enhanced chemical vapor deposition. These particles turned black upon irradiating with ultraviolet light. We investigated this phenomenon using density functional theory calculations. Silicon inclusions create trap levels and oxygen defects that reduce the ionization potential of ZnO. This forms a quantum potential between ZnO and zinc-silicon oxide, and the excited electron is stable. Because oxygen defects also increase the bond overlap population between the zinc atoms in a ZnO crystal, they introduce further defects and help in the formation of quantum potentials. Growth of a perfect crystal of ZnO prevents the formation of oxygen defects, which is not desirable for photochromism.