Screening and Characterization of Ternary Oxides for High-Temperature Carbon Capture
Screening and Characterization of Ternary Oxides for High-Temperature Carbon Capture
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DOI：
10.1021/acs.chemmater.7b04679
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发表时间：
2018-03
影响因子：
8.6
通讯作者：
M. Gaultois;Matthew T. Dunstan;A. Bateson;M. C. Chan;C. Grey
中科院分区：
文献类型：
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作者：
M. Gaultois;Matthew T. Dunstan;A. Bateson;M. C. Chan;C. Grey
碳捕获与封存（CCS）作为缓解人为气候变化影响的必要组成部分，正日益被人们所接受，因为它是一项相对成熟且易于实施的技术。高温CO2吸收环是一种很有前途的工艺，它比目前最先进的胺洗涤技术提供更低的能量损失，但需要更有效的材料才能广泛实施。本文描述了高通量DFT筛选预测的几种新型三元过渡金属氧化物的实验表征和CO2吸收性能。本文报道的一种材料Li5SbO5显示出可逆的CO2吸附，并在25次循环中保持其理论容量的72%。本工作的结果用于讨论对CO2吸收能力和速率的主要影响，包括晶体结构、过渡金属、碱或碱土金属的作用，以及热力学的竞争作用。
Carbon capture and storage (CCS) is increasingly being accepted as a necessary component of any effort to mitigate the impact of anthropogenic climate change, as it is both a relatively mature and easily implemented technology. High-temperature CO2 absorption looping is a promising process that offers a much lower energy penalty than the current state of the art amine scrubbing techniques, but more effective materials are required for widespread implementation. This work describes the experimental characterization and CO2 absorption properties of several new ternary transition metal oxides predicted by high-throughput DFT screening. One material reported here, Li5SbO5, displays reversible CO2 sorption, and maintains ∼72% of its theoretical capacity out to 25 cycles. The results in this work are used to discuss major influences on CO2 absorption capacity and rate, including the role of the crystal structure, the transition metal, the alkali or alkaline earth metal, and the competing roles of thermodynamics...