通过Nb5+进行结构性障碍的对分布函数分析 包含在Ceria中:证据表明氧气储存能力由低协调氧化物增强
Craig I Hiley1, Helen Y Playford2, Janet M Fisher3
1Department of Chemistry, University of Warwick , Coventry CV4 7AL, United Kingdom.
Journal of the American Chemical Society
|January 20, 2018
概括
用 (Nb5+) 和 (Na+) 部分替代二氧化 (CeO2),提高了氧气储存能力. 这种通过热水合成实现的结构改造改善了能源和环境应用中的氧化还原催化材料.
科学领域:
- 材料科学
- 无机化学
- 催化剂
背景情况:
- 二氧化 (CeO2) 是氧化还原催化剂的关键材料,因为它具有氧气储存能力.
- 提高CeO2的氧气储存能力对于改善能源和环境应用至关重要.
- 通常使用兴奋剂策略来调整CeO2的特性.
研究的目的:
- 在CeO2中研究Ce4+被Nb5+部分替代.
- 探讨合成过程中纳氧化在费用补偿中的作用.
- 了解Nb5+替代对CeO2格子的结构影响及其对氧存储能力的影响.
主要方法:
- 在氧化溶液中进行热水合成.
- 配对分布函数分析 (PDF)
- 反向蒙特卡洛 (RMC) 提炼.
主要成果:
- 在CeO2中成功地用Nb5+部分替代Ce4+并同时加入Na+.
- Nb5+替代物占据了平均化物格子内的不规则协调位置.
- 替代物从理想的立方位向四个氧原子移动,从而形成低协调的氧气环境.
- 在合成材料中观察到显著增强的氧气储存能力.
结论:
- 在CeO2中通过Nb5+部分替代Ce4+,并通过Na+的共同含量,可以通过水热合成实现.
- 观察到的结构扭曲,特别是低协调氧气,直接导致了氧气储存能力的提高.
- 这些发现突显了开发用于能源和环境技术的氧化还原催化剂的先进材料的前景.
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