...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical chemistry chemical physics: PCCP >Na-Based monolayer photocatalysts with an extremely high intrinsic electric-field for water splitting
【24h】

Na-Based monolayer photocatalysts with an extremely high intrinsic electric-field for water splitting

机译：基于NA的单层光催化剂，具有极高的固有电场用于水分裂

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

A strong built-in electric field, high carrier mobility and a wide range of optical absorption values are the key parameters for photocatalysts used in water splitting. The design and preparation of photocatalysts possessing simultaneously these characteristics have always been the main tasks in the water splitting field. Here, we report a new family of 2D Na-based photocatalysts, NaAB(2)(A = Al, Ga, In; B = S, Se, Te) monolayers, which may achieve this goal. First-principles calculations show that most of the NaAB(2)monolayers are semiconductors with a suitable direct band gap ranging from visible to near-infrared light, exhibiting good optical absorption. The electron mobilities of the NaAB(2)monolayers are up to 10(3)cm(2)V(-1)s(-1), meaning the rapid migration of electrons can promote photocatalytic overall water splitting. Importantly, the electrostatic potential differences between the top surface and the bottom surface are larger than 1.23 eV for all the studied NaAB(2)monolayers, meaning a high intrinsic built-in electric field that is present in these Na-based photocatalysts can promote the overall water splitting irrespective of their band gaps and band edges. Our studies show that the NaAB(2)monolayers may be ideal photocatalysts for use in water splitting and may initiate a new round of experimental studies.
机译：强大的内置电场，高载流动性和广泛的光学吸收值是用于水分裂的光催化剂的关键参数。具有同时具有这些特性的光催化剂的设计和制备始终是水分裂场中的主要任务。在这里，我们报告了一个新的2D Na基光催化剂，Naab（2）（a = Al，Ga，In; b = s，se，te）单层，这可能实现这一目标。第一原理计算表明，大多数Naab（2）单层是具有合适的直接带隙的半导体，从而可见近红外光，表现出良好的光学吸收。 Naab（2）单层的电子迁移势高达10（3）厘米（2）V（-1）S（-1），这意味着电子的快速迁移可以促进光催化的整体水分裂。重要的是，对于所有研究的Naab（2）单层，顶表面和底表面之间的静电电位差异大于1.23eV，这意味着在这些基于NA的光催化剂中存在的高内在内置电场可以促进整体水分，无论其带隙和带状边缘如何。我们的研究表明，Naab（2）单层可以是用于水分裂的理想光催化剂，并且可以启动新一轮的实验研究。

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