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1. 1. Mechanistic investigations of chemical reactions on 2D MXenes and metal surfaces from first-principles

   Författare :Kaifeng Niu; Jonas Björk; Johanna Rosén; Lifeng Chi; Daniele Passerone; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; 2D MXenes; On-surface synthesis; C-H activation; Electrochemical nitrogen reduction;

   Sammanfattning : Chemical reactions on surfaces play a central role both for our daily life and industrial purposes, including the storage and release of energy, as well as the formation of new materials. To achieve high efficiency, catalysis lies in the heart of chemical reactions as it plays a critical role in accelerating the chemical transformation to target products. LÄS MER