journal article·2026-01-20

Revealing the Origin of Catalytic Activity in an Alkynyl-Passivated Ag 18 Cu 12 Nanocluster: Lewis Acid Site Matters

Huifang Guo, Xueli Sun, Xiaojiao Yang, Dongjie Zuo, Jing Sun, Zi-Ang Nan, Xuekun Gong, Simin Li, Jianyu Wei, Nanfeng Zheng, Hui Shen

ACS Nano· Volume 20· Issue 2
Publisher page

Abstract

A growing body of research has demonstrated that ligand-passivated metal nanoclusters, particularly those stabilized by alkynyl ligands, exhibit catalytic activity without the need for ligand removal. The fundamental origin of catalytic activity in these seemingly inert yet highly active metal nanoclusters has remained unclear. In this study, we investigate an alkynyl-passivated [Ag 18 Cu 12 H 2 (3-MeC 6 H 4 C≡C) 22 (dppe) 4 ](SbF 6 ) 4 nanocluster (where dppe represents 1,2-bis(diphenylphosphino)ethane), which demonstrates high performance in the electrocatalytic nitrogen reduction reaction (NRR). Through comprehensive experimental and theoretical investigations, we reveal that the Lewis acid (LA) sites on the cluster surface are responsible for the observed high catalytic activity. Our mechanistic studies elucidate the role of these LA sites in nitrogen molecule activation. This work not only presents a model alkynyl-passivated metal nanocluster for understanding catalytic mechanisms in chemical transformations but also establishes Lewis acidity as an experimentally suitable descriptor for explaining the catalytic behavior of metal nanoclusters passivated by ligands beyond alkynyl.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Nanocluster Synthesis and Applications · Ammonia Synthesis and Nitrogen Reduction · Catalytic Cross-Coupling Reactions

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

College of Energy Materials and Chemistry

Inner Mongolia University

School of Materials and New Energy, State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering

Ningxia University

CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials

Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences

New Cornerstone Science Laboratory, State Key Laboratory for Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, and National & Local Joint Engineering Research Center of Preparation Technology of Nanomaterials, College of Chemistry and Chemical Engineering

Xiamen University

Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province (IKKEM)

Funding

National Key Research and Development Program of China · Natural Science Foundation of Ningxia Province · Natural Science Foundation of Inner Mongolia Autonomous Region · National Natural Science Foundation of China · New Cornerstone Science Foundation · start-up funding of Inner Mongolia University · Program for Young Talents of Science and Technology in Universities of Inner Mongolia Autonomous Region

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