通过金属掺杂实现 Li2ZrO3 的电子排布和转移调节以增强高温下的二氧化碳去除：理论与实验研究

IF 3.3 3区化学 Q2 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry C Pub Date : 2024-10-12 DOI:10.1021/acs.jpcc.4c04040

Yuan Liu, Xingliang Ji, Zhaoyang Zhu, Tao Wang, Jiawei Wang, Yongsheng Zhang, Wei-Ping Pan

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引用次数: 0

摘要

锆酸锂（Li2ZrO3）作为一种极具发展前景的高温吸附剂，具有较高的理论吸附容量和较高的可回收性，但在实际应用中很难在吸附率较低的情况下实现尽可能大的吸附容量，因此采用元素掺杂的方法来改善Li2ZrO3的吸附特性。采用模拟和实验方法研究了K、Na和Fe掺杂对Li2ZrO3吸附性能的影响及其作用机理。研究发现，三元素掺杂能改善Li2ZrO3的吸附性能，金属原子通过掺杂改变周围电子排布进而影响表面电位，改善对CO2的吸附，促进表面碳酸盐物种的发展。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Electron Arrangement and Transfer Regulation of Li2ZrO3 by Metal Doping for Enhanced CO2 Removal at High Temperatures: A Theoretical and Experimental Study

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Electron Arrangement and Transfer Regulation of Li2ZrO3 by Metal Doping for Enhanced CO2 Removal at High Temperatures: A Theoretical and Experimental Study

Lithium zirconate (Li₂ZrO₃), as a high-temperature adsorbent with great prospects for development, has a high theoretical adsorption capacity and high recyclability, but it has difficulty achieving the largest possible adsorption capacity with low adsorption rates for practical applications, so the adsorption characteristics of Li₂ZrO₃ are improved by adopting elemental doping methods. Simulation and experimental methods were used to study the influence of K, Na, and Fe adulterating on the adsorption performance of Li₂ZrO₃ and the mechanism of the effect. It is found that the three-element doping can improve the adsorption performance of Li₂ZrO₃, the metal atoms through doping to change the surrounding electron arrangement and thus affect the potential of the surface, to improve the adsorption of CO₂, and to promote the development of surface carbonate species.

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来源期刊

The Journal of Physical Chemistry C 化学-材料科学：综合

CiteScore

6.50

自引率

8.10%

发文量

2047

审稿时长

1.8 months

期刊介绍： The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.