Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation

Authors:	Xavier Deraet Dr. Jan Turek Prof. Mercedes Alonso Prof. Frederik Tielens Prof. Stefaan Cottenier Prof. Paul W. Ayers Prof. Bert M. Weckhuysen Prof. Frank De Proft

Affiliation:	1. Department of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Elsene, Brussels, Belgium;2. Department of Electrical Energy, Metals, Mechanical Constructions and Systems, Ghent University, Technologiepark 46, 9052 Zwijnaarde, Belgium;3. Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario, L8S 4M1 Canada;4. Inorganic Chemistry and Catalysis Group, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht, The Netherlands

Abstract:

Keywords:	amorphous silica density functional calculations reactivity indices single-atom catalysis transition metals