De-Liang Chen

affiliation not provided to SSRN

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  • affiliation not provided to SSRN

SCHOLARLY PAPERS

5

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97

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Scholarly Papers (5)

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1.

A Dft Study on Defects and N Doping to Enhance Hydrogen Storage in Mg-Decorated Graphene

Number of pages: 18 Posted: 09 Oct 2023
Leilei Tang, Shunping Shi, Chunyu Yao, Sa Zhang, Yiliang Liu, Zhanjiang Duan, Jing Jiang and De-Liang Chen
Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Southwest Minzu University, Chengdu University of Technology, Chengdu University of Technology and affiliation not provided to SSRN
Downloads 61 (772,108)

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Hydrogen Storage, graphene, Mg decorated, N doping

2.

Geometries, Stabilities and Electronic Properties Study of Small Xnk(X=Mn, Fe, Co; N=1-8) Clusters Studied by Density Functional Theory

Number of pages: 18 Posted: 17 Apr 2024
Shunping Shi, Mingjie Wan, Zhixiang Fan, Kai Diao and De-Liang Chen
Chengdu University of Technology, Yibin University, Xihua University, Chengdu University of Technology and affiliation not provided to SSRN
Downloads 12 (1,258,564)

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density functional theory, Cluster, Geometrical structures, Electronic properties

3.

Research on the Reaction of Mgn (N=9-12) Clusters with Water Molecules Based on Density Functional Theory

Number of pages: 18 Posted: 16 Apr 2025
Jiabao Hu, Guangxi Wang, Shunping Shi, Jing Jiang, Lingxiao Liu and De-Liang Chen
Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology and affiliation not provided to SSRN
Downloads 9 (1,288,263)

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Density functional theory, Hydrogen evolution reaction, IRI analysis, NPA analysis

4.

Molecular Configuration, Electronic Properties, Reaction Activity of Metal-Free Naphthalocyanine Under the External Electric Field

Number of pages: 19 Posted: 15 Jul 2023
De-Liang Chen, Shi-Xiong Li and Yue-Ju Yang
affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 8 (1,296,582)

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H2Nc, external electric field, electrophilic or nucleophilic reaction, structure

5.

Comparative Study on H-Abstraction Reactions of Mpk and Dek Initiated by Oh and Ch3 Radicals: Kinetic Insights and Model Refinements

Number of pages: 48 Posted: 15 Jul 2024
Lei Chen, Jiuning He, Jianhua Li, Xingzhi Wang, Yanhao Duan, Mengjiao Gao, Jia Li, Changhua Zhang and De-Liang Chen
Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Chengdu University of Technology, Sichuan University and affiliation not provided to SSRN
Downloads 7 (1,304,283)

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2-pentanone, 3-Pentanone, Rate constant, Multi-structural torsional anharmonicity, kinetic model