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β-AgAl1-xGaxO2Solid-Solution Photocatalysts: Continuous Modulation of Electronic Structure toward High-Performance Visible-Light Photoactivity
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2011-05-25 , DOI: 10.1021/ja110691t
Shuxin Ouyang 1 , Jinhua Ye 1
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2011-05-25 , DOI: 10.1021/ja110691t
Shuxin Ouyang 1 , Jinhua Ye 1
Affiliation
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A series of β-AgAl(1-x)Ga(x)O(2) solid-solution materials were explored as novel visible-light-sensitive photocatalysts. These Ag-based solid solutions crystallize in a homogeneous crystal structure with orthorhombic symmetry but possess continuously modulated band gaps from 2.19 to 2.83 eV by decreasing the ratios of Ga/Al. Their photoactivities for iso-propanol degradation were found to be dependent on the variation of chemical compositions. Among them, the β-AgAl(0.6)Ga(0.4)O(2) sample showed the highest photocatalytic performance, which simultaneously exhibited 35 and 63 times higher activities than two terminus materials, β-AgAlO(2) and β-AgGaO(2), respectively. The apparent quantum efficiency of this sample for iso-propanol photodegradation achieved up to 37.3% at the wavelength of 425 ± 12 nm. The theoretical calculation based on density functional theory demonstrated that the levels of valence band maximum of β-AgAl(1-x)Ga(x)O(2) are similar, but the levels of conduction band minimum are gradually negatively shifted with the increase of the ratio of Ga/Al, thereby continuously narrowing the band gap. Nevertheless, the highest activity observed on β-AgAl(0.6)Ga(0.4)O(2) may be attributed to its optimized band structure, which adapts the balance between effective visible-light absorption and adequate redox potentials.
中文翻译：
β-AgAl1-xGaxO2 固体溶液光催化剂：电子结构的连续调制朝向高性能可见光光活性
一系列 β-AgAl(1-x)Ga(x)O(2) 固溶体材料被探索为新型可见光敏感光催化剂。这些基于银的固溶体以正交对称的均匀晶体结构结晶，但通过降低 Ga/Al 的比率，具有从 2.19 到 2.83 eV 的连续调制带隙。发现它们对异丙醇降解的光活性取决于化学成分的变化。其中，β-AgAl(0.6)Ga(0.4)O(2) 样品表现出最高的光催化性能，同时表现出比两种末端材料 β-AgAlO(2) 和 β-AgGaO(2) 高 35 倍和 63 倍的活性。 2) 分别。该样品用于异丙醇光降解的表观量子效率在 425±12 nm 的波长下达到了 37.3%。基于密度泛函理论的理论计算表明，β-AgAl(1-x)Ga(x)O(2)的价带最大值能级相似，但导带最小值的能级随着β-AgAl(1-x)Ga(x)O(2)的增加而逐渐负移。 Ga/Al 的比例，从而不断缩小带隙。尽管如此，在 β-AgAl(0.6)Ga(0.4)O(2) 上观察到的最高活性可能归因于其优化的能带结构，它适应了有效可见光吸收和足够氧化还原电位之间的平衡。
更新日期：2011-05-25
中文翻译：
β-AgAl1-xGaxO2 固体溶液光催化剂：电子结构的连续调制朝向高性能可见光光活性
一系列 β-AgAl(1-x)Ga(x)O(2) 固溶体材料被探索为新型可见光敏感光催化剂。这些基于银的固溶体以正交对称的均匀晶体结构结晶，但通过降低 Ga/Al 的比率，具有从 2.19 到 2.83 eV 的连续调制带隙。发现它们对异丙醇降解的光活性取决于化学成分的变化。其中，β-AgAl(0.6)Ga(0.4)O(2) 样品表现出最高的光催化性能，同时表现出比两种末端材料 β-AgAlO(2) 和 β-AgGaO(2) 高 35 倍和 63 倍的活性。 2) 分别。该样品用于异丙醇光降解的表观量子效率在 425±12 nm 的波长下达到了 37.3%。基于密度泛函理论的理论计算表明，β-AgAl(1-x)Ga(x)O(2)的价带最大值能级相似，但导带最小值的能级随着β-AgAl(1-x)Ga(x)O(2)的增加而逐渐负移。 Ga/Al 的比例，从而不断缩小带隙。尽管如此，在 β-AgAl(0.6)Ga(0.4)O(2) 上观察到的最高活性可能归因于其优化的能带结构，它适应了有效可见光吸收和足够氧化还原电位之间的平衡。
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