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Role of quantum-size effects in the dehydrogenation of CH 4 on 3d TM n clusters: DFT calculations combined with data mining

2021; Royal Society of Chemistry; Volume: 12; Issue: 3 Linguagem: Inglês

10.1039/d1cy01785c

2044-4761

Karla F. Andriani, Priscilla Felício-Sousa, Felipe Orlando Morais, Juarez L. F. Da Silva,

Advanced Chemical Physics Studies

Adsorption modes identified by clustering algorithms for CH 4 adsorption on TM n clusters.