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Xuanyi Zhu

Liaoning Technical University

CA

SCHOLARLY PAPERS

6

DOWNLOADS

193

TOTAL CITATIONS

5

Scholarly Papers (6)

1.

Constructing Dual-Atom Catalysts by Replacing N Atoms with Heteronuclear Transition Metals as Efficient Sulfur Host Materials for Lithium-Sulfur Batteries: A First-Principles Study

Number of pages: 24 Posted: 16 Oct 2024
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Yingkou Institute of Technology, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Foshan University and Liaoning Technical University
Downloads 46 (1,109,210)

Abstract:

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Shuttle effect;lithium-sulfur batteries;First-principles calculations;g-C3N4;Transition metal atoms;Dual-atom catalysts

2.

Hybridization between B, P, O, S and transition metal atoms based on g-C3N4 d-p hybridization: A first-principles study

Number of pages: 25 Posted: 10 Oct 2025
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University and Liaoning Technical University
Downloads 36 (1,249,711)

Abstract:

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Lithium-sulfur batteries, single-atom catalysts, Shuttle Effect, LUMO/HOMO

3.

Enhanced First-Principles Theoretical Investigation of Sulfur-Host Materials Utilizing Single-Atom Catalysts Embedded within G-C3n4

Number of pages: 16 Posted: 06 Mar 2024
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Foshan University, Ningbo University of Technology and Liaoning Technical University
Downloads 32 (1,318,317)
Citation 2

Abstract:

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Shuttle effect;lithium-sulfur batteries;First-principles calculations;g-C3N4;Transition metal atoms;Single-atom catalysts

4.

Heterokaryotic Transition-Metal Dimers Embedded Monolayer G-C3n3 as Promising Anchoring and Electrocatalytic Materials for Lithium-Sulfur Battery: First-Principles Calculations

Number of pages: 16 Posted: 07 Feb 2024
Liaoning Technical University, Liaoning Technical University, Zhengzhou Research Institute of Mechanical Engineering Co., Ltd., Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Foshan University, Ningbo University of Technology and Liaoning Technical University
Downloads 32 (1,290,922)
Citation 3

Abstract:

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Dual-atom catalysts, single-layer g-C3N3, cathode material, lithium-sulfur batteries

5.

Composites of Carbon Nanotube and Protonated Montmorillonite as Structural and Chemical Dual-Encapsulation Sulfur Carrier for Lithium-Sulfur Battery

Number of pages: 22 Posted: 28 Feb 2023
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University and Liaoning Technical University
Downloads 30 (1,318,317)

Abstract:

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composite, Li-S battery, cathode, Cycle performance, electrical chemistry

6.

Solution-Recrystallization Mechanism of G-C3n4 and its Inhibitory Effect on Polysulfide Shuttling Through Cross-Linked Porous Network Structure with Carbon Nanotubes

Number of pages: 23 Posted: 04 Jan 2024
Liaoning Technical University, Liaoning Technical University, Zhengzhou Research Institute of Mechanical Engineering Co., Ltd., Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Foshan University, Ningbo University of Technology and Liaoning Technical University
Downloads 17 (1,481,165)

Abstract:

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Lithium-sulfur batteries, solution-recrystallization, electrochemical properties