首页|The reformation of catalyst:From a trial-and-error synthesis to rational design

The reformation of catalyst:From a trial-and-error synthesis to rational design

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The appropriate catalysts can accelerate the reaction rate and effectively boost the efficient conversion of various molecules,which is of great importance in the study of chemistry,chemical industry,energy,materials and environmental science.Therefore,efficient,environmentally friendly,and easy to operate synthesis methods have been used to prepare various types of catalysts.Although previous studies have reported the synthesis and characterization of the aforementioned catalysts,more still remain in trial and error methods,without in-depth consideration and improvement of traditional synthesis methods.Here,we comprehensively summarize and compare the preparation methods of the trial-and-error synthesis strategy,structure-activity relationships and density functional theory(DFT)guided catalysts rational design for nanomaterials and atomically dispersed catalysts.We also discuss in detail the utilization of the nanomaterials and single atom catalysts for converting small molecules(H2O,O2,CO2,N2,etc.)into value-added products driven by electrocatalysis,photocatalysis,and thermocatalysis.Finally,the challenges and outlooks of mass preparation and production of efficient and green catalysts through conventional trial and error synthesis and DFT theory are featured in accordance with its current development.

trial-and-error synthesisstructure-activity relationshipsdensity functional theory(DFT)guidancenanomaterialsatomically dispersed catalysts

Ligang Wang、Jiabin Wu、Shunwu Wang、Huan Liu、Yao Wang、Dingsheng Wang

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Department of Chemistry,Tsinghua University,Beijing 100084,China

National Key R&D Program of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaProject funded by China Postdoctoral Science FoundationShuimu Tsinghua Scholar program of Tsinghua University,China

2018YFA070200321890383221711572022M7117872021SM071

2024

10.1007/s12274-023-6037-8

纳米研究(英文版)

纳米研究(英文版)

CSTPCD
ISSN：
年,卷(期)：2024.17(4)
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