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Updated: Jul 9, 2025

Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation
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框架组成和NH3对Cu+在Cu-CHA催化剂中的扩散的影响,由机器学习加速分子动力学预测

Reisel Millan1,2, Estefanía Bello-Jurado2, Manuel Moliner2

  • 1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.

ACS central science
|November 30, 2023
PubMed
概括

机器学习潜力使铜交换热石的大规模模拟成为可能,揭示了配对和氨度影响铜离子的移动性. 这一发现对于优化 NOx 选择性催化降解等反应中的催化剂至关重要.

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相关概念视频

Ladder Diagrams: Complexation Equilibria01:07

Ladder Diagrams: Complexation Equilibria

Ladder diagrams are useful for evaluating equilibria involving metal-ligand complexes. The vertical scale of the ladder diagram represents the concentration of unreacted or free ligand, pL. The horizontal lines on the scale depict the log of stepwise formation constants for metal-ligand complexes and indicate the dominant species in all the regions.
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...
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