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ShuWei Tang

Liaoning Technical University

CA

SCHOLARLY PAPERS

13

DOWNLOADS

418

TOTAL CITATIONS

5

Scholarly Papers (13)

1.

Improving Thermoelectric Performance of Asymmetrical Janus 1t-Snsse Monolayer by the Synergistic Effect of Band Convergence and Crystal Lattice Softening Under Strain Engineering

Number of pages: 46 Posted: 30 Sep 2022
Zhengzhou University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University and Beihang University (BUAA) - School of Materials Science and Engineering
Downloads 67 (907,769)

Abstract:

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thermoelectric material, 1T-SnSSe monolayer, Strain engineering, electrical transport, Thermal transport

2.

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)

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

3.

Investigating Lithium-Ion Behavior in Defective Graphite Via Non-Equilibrium Molecular Dynamics and Density Functional Theory

Number of pages: 17 Posted: 18 Nov 2024
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, affiliation not provided to SSRN, affiliation not provided to SSRN, Liaoning Technical University and Liaoning Technical University
Downloads 38 (1,209,354)

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Graphite Anode Defect Density Lithium-ion Diffusion Mechanical Properties Defect Engineering

4.

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)

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

5.

Comprehensive Investigation of Lithium Ion Interactive Behaviors in Graphiteelectrodes Via Non-Equilibrium Molecular Dynamics and Density Functionaltheory

Number of pages: 18 Posted: 02 Jul 2024
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, affiliation not provided to SSRN, affiliation not provided to SSRN, Liaoning Technical University and Liaoning Technical University
Downloads 32 (1,290,922)

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Graphite Electrode, Lithium Ion Intercalation;Diffusion Coefficient, MD, DFT

6.

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

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

7.

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

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

8.

Synergistic Effect of Diffusons and Strong Anharmonicity in Bacax (X = Si, Ge) Thermoelectrics

Number of pages: 29 Posted: 20 Mar 2025
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University and University of Science and Technology Liaoning
Downloads 31 (1,304,549)

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Zintl-phase thermoelectrics, rattling-like behavior, lone pair electrons, ultra-low thermal conductivity, diffusons

9.

基于非平衡分子动力学和密度泛函理论的石墨电极锂离子相互作用行为综合研究

Number of pages: 18 Posted: 02 Jul 2024
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, affiliation not provided to SSRN, affiliation not provided to SSRN, Liaoning Technical University and Liaoning Technical University
Downloads 30 (1,332,057)

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Graphite Electrode, Lithium Ion Intercalation;Diffusion Coefficient, MD, DFT

10.

Modulating Micropores Using Liquid-Phase Carbon Deposition to Identify the Optimal Pore Size for Lithium-Ion Capacitor

Number of pages: 22 Posted: 19 Aug 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 21 (1,448,301)

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porous carbon electrode materials, carbon deposition mechanism, pore size adjustment, Li-ion capacitors, first-principles calculation

11.

First-Principles Study of Lithium Embedding and Migration in Graphite with Defects

Number of pages: 17 Posted: 13 Nov 2023
Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University and Liaoning Technical University
Downloads 20 (1,448,301)

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graphite, defect, first-principles, energy barrier

12.

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)

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Lithium-sulfur batteries, solution-recrystallization, electrochemical properties

13.

Rattling-like Vibration and Band Tailoring in LaAsX (X=Se, Te) for Enhanced Thermoelectrics

Number of pages: 33 Posted: 16 May 2026
Liaoning Technical University, affiliation not provided to SSRN, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Liaoning Technical University, Northeast Normal University and Liaoning Technical University
Downloads 16 (1,509,872)

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thermoelectric, First-principles calculations, Boltzmann transport equation, Zintl phase, Dimensionless figure-of-merit (ZT)