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Boyun Xiao

National Supercomputing Center in Zhengzhou

SCHOLARLY PAPERS

3

DOWNLOADS

99

TOTAL CITATIONS

1

Scholarly Papers (3)

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1.

A Theoretical Investigation on the Excited-State Decay and Anti-Kasha Fluorescence of Phenanthrene Dithiadiazolyl Radical

Number of pages: 22 Posted: 04 Mar 2025
Miao Xue, Boyun Xiao, Le Yu, Gaohong Zhai and Yibo Lei
affiliation not provided to SSRN, National Supercomputing Center in Zhengzhou, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 39 (1,263,436)

Abstract:

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fluorescence, radical, SDSPT2, nonradiative decay, double-electron excitation

2.

Efficient Dual-Atom Electrocatalysts for Lithium-Sulfur Batteries Cathode Materials: Fe Dimers Supported on Phthalocyanine

Number of pages: 25 Posted: 14 Nov 2024
Shaobo Jia, Chou Wu, Haiyan Zhu, Boyun Xiao, Tingting Li, Shanlin Chen, Jianxiao Shang, Zhequn Ren, Anyang Li and Yawei Li
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, National Supercomputing Center in Zhengzhou, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and North China Electric Power University
Downloads 34 (1,277,121)
Citation 1

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lithium-sulfur batteries, Transition metal phthalocyanines, Double-atom catalysts, Density Functional Theory, descriptor

3.

Machine Learning Reveals Role-Asymmetric Electronic Cooperation in Fe-Based Dual-Atom Catalysts

Number of pages: 40 Posted: 06 Apr 2026
Shaobo Jia, Lu Yang, Chou Wu, Boyun Xiao, Jinqiao Tian, Haiyan Zhu, Qiang Tan, Yawei Li and Anyang Li
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, National Supercomputing Center in Zhengzhou, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, North China Electric Power University and affiliation not provided to SSRN
Downloads 26 (1,470,786)

Abstract:

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Dual-atom catalysts, density functional theory, ORR/OER, Machine Learning, Zinc-air batteries