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Low-dimensional non-metal catalysts:principles for regulating p-orbital-dominated reactivity 被引量:1

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摘要 Activation of p-block elements to replace the rare and precious transition metals for renewable energy applications is highly desirable.In this review,we go over recent experimental and theoretical progress on the low-dimensional non-metal materials for clean energy production,including carbon,silicon,oxide,boron,and phosphorus-based nanostructures,with the p-block elements serving as active sites.We aim to elucidate the mechanism for triggering activity in different kinds of non-metal systems,and extract general principles for controlling the p-orbital-mediated reactivity from a theoretical point of view.The perspectives and challenges for developing high-efficiency non-metal catalysts are provided in the end.
出处 《npj Computational Materials》 SCIE EI CSCD 2021年第1期1699-1732,共34页 计算材料学(英文)
基金 The authors are gateful to the financal support from the Nattonal Natural Sclence Foun dation of China(11974068,91961204)。
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