文章基本信息

标题：Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture
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作者：Xin Tan ; Liangzhi Kou ; Hassan A. Tahini 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2015
卷号：5
期号：1
DOI：10.1038/srep17636
语种：English
出版社：Springer Nature
摘要：Good electrical conductivity and high electron mobility of the sorbent materials are prerequisite for electrocatalytically switchable CO₂ capture. However, no conductive and easily synthetic sorbent materials are available until now. Here, we examined the possibility of conductive graphitic carbon nitride (g-C₄N₃) nanosheets as sorbent materials for electrocatalytically switchable CO₂ capture. Using first-principle calculations, we found that the adsorption energy of CO₂ molecules on g-C₄N₃ nanosheets can be dramatically enhanced by injecting extra electrons into the adsorbent. At saturation CO₂ capture coverage, the negatively charged g-C₄N₃ nanosheets achieve CO₂ capture capacities up to 73.9 × 10¹³ cm⁻² or 42.3 wt%. In contrast to other CO₂ capture approaches, the process of CO₂ capture/release occurs spontaneously without any energy barriers once extra electrons are introduced or removed, and these processes can be simply controlled and reversed by switching on/off the charging voltage. In addition, these negatively charged g-C₄N₃ nanosheets are highly selective for separating CO₂ from mixtures with CH₄, H₂ and/or N₂. These predictions may prove to be instrumental in searching for a new class of experimentally feasible high-capacity CO₂ capture materials with ideal thermodynamics and reversibility.