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Shize Liu

Inner Mongolia University of Technology

Hohhot, 010051

China

  • Inner Mongolia University of Technology

SCHOLARLY PAPERS

3

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91

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0

Scholarly Papers (3)

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1.

Modification of Metals and Ligands in Two-Dimensional Conjugated Metal-Organic Frameworks for Co2 Electroreduction: A Combined Dft and Machine Learning Study

Number of pages: 32 Posted: 12 Jun 2024
Guanru Xing, Shize Liu, Guangyan Sun and Jing-Yao Liu
affiliation not provided to SSRN, Inner Mongolia University of Technology, Yanbian University and Jilin University (JLU) - Laboratory of Theoretical and Computational Chemistry
Downloads 47 (1,133,231)

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CO2 reduction reaction, 2D conjugated metal-organic frameworks, density functional theory, Machine learning

2.

Nitrogen-doped graphene supported heteronuclear dual-atom catalysts for electrochemical N2 reduction: A combined DFT and machine learning study

Number of pages: 26 Posted: 17 Jan 2026
Shize Liu, Zhou Wang, Zhiming Lu, Jiadi Xu, Guanru Xing and lin Cheng
Inner Mongolia University of Technology, Inner Mongolia University of Technology, Inner Mongolia University of Technology, Inner Mongolia University of Technology, affiliation not provided to SSRN and Inner Mongolia University of Technology
Downloads 25 (1,459,862)

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N2 reduction reaction, Heteronuclear dual-atom catalysts, Nitrogen doped graphene, Density functional theory

3.

Electrochemical reduction of CO2 on two-dimensional metal hexahydroxy-substituted triazamacrocyclic framework: A machine learning assisted density functional theory study

Number of pages: 34 Posted: 23 Jan 2026
Shize Liu, Zhou Wang, Huiyan Ma, Lisha Ma, Jucai Yang, Kai Li and lin Cheng
Inner Mongolia University of Technology, Inner Mongolia University of Technology, Inner Mongolia University of Technology, Inner Mongolia University of Technology, Inner Mongolia University of Technology, Changchun Normal University and Inner Mongolia University of Technology
Downloads 19 (1,481,165)

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CO2 reduction reaction, 2D conjugated metal-organic frameworks, Density functional theory, Machine learning