Journal of CO2 Utilization ( IF 7.7 ) Pub Date : 2021-11-27 , DOI: 10.1016/j.jcou.2021.101814 Niket S. Powar 1 , Chaitanya B. Hiragond 1 , Dowon Bae 2 , Su-Il In 1
Two-dimensional metal carbides have recently emerged as a promising catalyst for photo- and electrocatalytic CO2 reduction processes due to their high surface area to volume ratio and the vast number of active sites. The surface engineering of transition metal carbides (TMCs) governs the selectivity of specific hydrocarbon formation via a CO2 reduction reaction. Herein, we briefly discuss theoretical models based on the Density Functional Theory (DFT) studies and practical perspective on optimizing surface engineered TMCs and their composites, including tungsten carbide (WC), titanium carbide (TiC), and molybdenum carbide (MoC). In this consolidated review, we provide a reference guide to the key aspects and the most recent data on the properties of 2D metal carbides for the development of an efficient catalyst for photo- and electrocatalytic CO2 reduction.
中文翻译:
用于电和光催化 CO2 还原的二维金属碳化物:综述
由于其高表面积体积比和大量活性位点,二维金属碳化物最近已成为光催化和电催化 CO 2还原过程的有前途的催化剂。过渡金属碳化物 (TMC) 的表面工程通过CO 2控制特定碳氢化合物形成的选择性还原反应。在此,我们简要讨论了基于密度泛函理论 (DFT) 研究的理论模型和优化表面工程 TMC 及其复合材料的实践观点,包括碳化钨 (WC)、碳化钛 (TiC) 和碳化钼 (MoC)。在这篇综合评论中,我们提供了有关二维金属碳化物特性的关键方面和最新数据的参考指南,以开发用于光催化和电催化 CO 2还原的有效催化剂。