• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Chemistry of Materials: A Publication of the American Chemistry Society >Anatase TiO2 Single Crystals Exposed with High-Reactive {111} Facets Toward Efficient H2 Evolution
【24h】

Anatase TiO2 Single Crystals Exposed with High-Reactive {111} Facets Toward Efficient H2 Evolution

机译：高反应性{111}晶面暴露的锐钛矿型TiO2单晶，可有效释放氢气

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

In this study, for the first time, {111} facet exposed anatase TiO2 single crystals are prepared via both F~- and ammonia as the capping reagents. In comparison with the most investigated {001}, {010}, and {101} facets for anatase TiO2, the density functional theory (DFT) calculations predict that {111} facet owns a much higher surface energy of 1.61 J/m~2, which is partially attributed to the large percentage of undercoordinated Ti atoms and O atoms existed on the {111} surface. These undercoordinated atoms can act as active sites in the photoreaction. Experimentally, it is revealed that this material exhibits the superior electronic band structure which can produce more reductive electrons in the photocatalytic reaction than those of the TiO2 samples exposed with majority {010}, {101}, and {001} facets. More importantly, we demonstrate that this material is an excellent photocatalyst with much higher photocatalytic activity (405.2 μmol h~(-1)), about 5, 9, and 13 times that of the TiO2 sample exposed with dominant {010}, {101}, and {001} facets, respectively. Both the superior surface atomic structure and electronic band structure significantly contribute to the enhanced photocatalytic activity. This work exemplifies that the surface engineering of semiconductors is one of the most effective strategies to achieve advanced and excellent performance over photofunctional materials for solar energy conversion.
机译：在这项研究中，首次通过F-和氨水作为封端剂制备了{111}面暴露的锐钛矿型TiO2单晶。与研究最多的锐钛矿型TiO2的{001}，{010}和{101}面相比，密度泛函理论（DFT）计算预测{111}面具有更高的表面能1.61 J / m〜2 ，部分归因于{111}表面上存在大量未配位的Ti原子和O原子。这些配位不足的原子可以在光反应中充当活性位点。从实验上发现，该材料显示出优越的电子带结构，该结构比在大多数{010}，{101}和{001}面上曝光的TiO2样品能在光催化反应中产生更多的还原电子。更重要的是，我们证明了这种材料是一种出色的光催化剂，具有更高的光催化活性（405.2μmolh〜（-1）），是暴露于显性{010}，{101的TiO2样品的约5、9和13倍}和{001}构面。优异的表面原子结构和电子能带结构都显着有助于增强光催化活性。这项工作例证了半导体的表面工程技术是最有效的策略之一，该技术比用于太阳能转换的光功能材料具有更高的性能和优异的性能。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号