Single-doped charged gold cluster with highly selective catalytic activity for the reduction of SO<sub>2</sub> by CO: First-principles study<xref rid="cpb_28_11_113101fn1" ref-type="fn">*</xref><fn id="cpb_28_11_113101fn1"><label>*</label><p>Project supported by the National Natural Science Foundation of China (Grant No. 11375091), the Natural Science Foundation of Zhejiang, China (Grant No. LY18A040003), the Natural Science Foundation of Ningbo, China (Grant No. 2018A610220), and the K.C. Wong Magna Fund in Ningbo University, China. The computation was performed in the Supercomputer Center of NBU.</p></fn>

Single-doped charged gold cluster with highly selective catalytic activity for the reduction of SO₂ by CO: First-principles study**

Project supported by the National Natural Science Foundation of China (Grant No. 11375091), the Natural Science Foundation of Zhejiang, China (Grant No. LY18A040003), the Natural Science Foundation of Ningbo, China (Grant No. 2018A610220), and the K.C. Wong Magna Fund in Ningbo University, China. The computation was performed in the Supercomputer Center of NBU.

Hu Yan-Ling, Zhu Hao-Ran, Wei Shi-Hao^†

The average bond-length between sulfur atom and oxygen atom ( R S-O SO 2 ) and the Mulliken charge (MC) of SO₂ adsorbed onto Au₅Mⁿ clusters.