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Lin Zhang

Northeastern University (USA)

220 B RP

Boston, MA 02115

United States

SCHOLARLY PAPERS

16

DOWNLOADS

560

TOTAL CITATIONS

1

Scholarly Papers (16)

Investigating MoTe₂/SnS₂ van der Waals Heterostructures as Anode Materials for Alkali Metal-Ion Batteries: A Perspective from Electrochemical Performances on First-Principles Calculations

Number of pages: 27 Posted: 28 Nov 2025
chengcheng hu, Yue Guan, Aoxin Gao and Lin Zhang
Northeastern University, Northeastern University, Northeastern University and Northeastern University (USA)
Downloads 47 (1,131,842)

Abstract:

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DFT, Heterostructure, Metal-Ion batteries, Diffusion, Interface

Investigating MoTe₂/SnS₂ van der Waals Heterostructures as Anode Materials for Alkali Metal-Ion Batteries: A Perspective from Electrochemical Performances on First-Principles Calculations

Number of pages: 27 Posted: 08 Dec 2025
chengcheng hu, Yue Guan, Aoxin Gao and Lin Zhang
Northeastern University, Northeastern University, Northeastern University and Northeastern University (USA)
Downloads 45 (1,144,483)

Abstract:

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DFT, Heterostructure, Metal-Ion batteries, Diffusion, Interface

Investigating MoTe₂/SnS₂ van der Waals Heterostructures as Anode Materials for Alkali Metal-Ion Batteries: A Perspective from Electrochemical Performances on First-Principles Calculations

Number of pages: 27 Posted: 20 Nov 2025
chengcheng hu, Lin Zhang, Yue Guan and Aoxin Gao
Northeastern University, Northeastern University (USA), Northeastern University and Northeastern University
Downloads 28 (1,400,723)

Abstract:

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The Synergistic Interaction of Carbonyl Groups in Two Forms of Pcl Polymer Providing an Improved Li-Ion Transport Channel for Solid-State Lithium Batteries: A Perspective from Simulations at Electrical Level

Number of pages: 19 Posted: 03 Sep 2024
Fuyao Deng, Lin Zhang, Yi Dong and Guodong Cui
Northeastern University (USA), Northeastern University (USA), Saarland University and Northeastern University (USA)
Downloads 30 (1,356,108)

Abstract:

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PCL polymer matrix, solid-electrolyte interphase, alkali ions, ion transport mechanism

The Synergistic Interaction of Carbonyl Groups in Two Forms of Pcl Polymer Providing an Improved Li-Ion Transport Channel for Solid-State Lithium Batteries: A Perspective from Simulations at Electrical Level

Number of pages: 19 Posted: 29 Aug 2024
Fuyao Deng, Lin Zhang, Yi Dong and Guodong Cui
Northeastern University (USA), Northeastern University (USA), Saarland University and Northeastern University (USA)
Downloads 23 (1,459,262)

Abstract:

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PCL polymer matrix, solid-electrolyte interphase, alkali ions, ion transport mechanism.

3.

Impact Of Strain and Doping On Li-Ion Transport In Li 3 Obr 0.5 Cl 0.5  Anti-Perovskite Solid Lithium-Ion Electrolytes: Insights From Dft And Aimd Calculations

Number of pages: 26 Posted: 23 Jul 2024
Guoyu Huang, Lin Zhang, Ying Yan and Yi Dong
Northeastern University (USA), Northeastern University (USA), Northeastern University (USA) and Saarland University
Downloads 49 (1,074,648)

Abstract:

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Strain, solid electrolyte, anti-perovskite, Li-ion migration, Li-ion conductivity

4.

Implications for Electronic Structures of S-Doped Graphene Nanoribbons from a Dftb Algorithm at Atomic Scale

Number of pages: 26 Posted: 24 Jul 2024
Xinran Wang and Lin Zhang
Northeastern University (USA) and Northeastern University (USA)
Downloads 48 (1,109,210)

Abstract:

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Graphene nanoribbons, DFTB, Doping, Electronic structures

5.

Insight into the Effect of Single Vacancy on Thermal Stabilities and Mechanical Behaviors as Well as Locally Loading States for Ti Matrixes: Implications from Atomic Modeling

Number of pages: 20 Posted: 03 Apr 2024
Jie Liu, Feng Dai and Lin Zhang
Northeastern University (USA), Northeastern University (USA) and Northeastern University (USA)
Downloads 47 (1,109,210)
Citation 1

Abstract:

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Titanium, mechanical properties, defect, atomic dynamic, Lode-Nadai

Structural Diagrams as Well as Thermodynamics Behaviors of Alloying Ti6al Nanoparticles: A Perspective from Atomic Simulations

Number of pages: 17 Posted: 19 Nov 2024
Jie Liu, Yuankui Zheng and Lin Zhang
Northeastern University (USA), Northeastern University (USA) and Northeastern University (USA)
Downloads 21 (1,500,232)

Abstract:

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Nanoalloys, Solidification, Structural transformation, Molecular dynamics

Structural Diagrams as Well as Thermodynamics Behaviors of Alloying Ti6al Nanoparticles: A Perspective from Atomic Simulations

Number of pages: 17 Posted: 07 Dec 2024
Jie Liu, Yuankui Zheng and Lin Zhang
Northeastern University (USA), Northeastern University (USA) and Northeastern University (USA)
Downloads 12 (1,589,301)

Abstract:

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Nanoalloys, Solidification, Structural transformation, molecular dynamics

7.

Studying Effects of Applying Strain and Doping Atoms on Li-Ion Transport Properties for Li3obr0.5cl0.5 Anti-Perovskite Solid Lithium-Ion Electrolytes: Implications from Dft as Well as Aimd Calculations

Number of pages: 26 Posted: 26 Mar 2024
Guoyu Huang, Ying Yan, Lin Zhang and Yi Dong
Northeastern University (USA), Northeastern University (USA), Northeastern University (USA) and Saarland University
Downloads 33 (1,290,922)

Abstract:

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Strain, Doping, Solid electrolyte, Anti-perovskite, Li-ion migration, Li-ion conductivity

8.

Structural and Thermodynamic Behaviors of Cumagn(M+N=144-147) Alloying Nanoclusters During Cooling

Number of pages: 18 Posted: 20 Sep 2022
Jinhan Liu and Lin Zhang
Northeastern University (USA) and Northeastern University (USA)
Downloads 29 (1,345,526)

Abstract:

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nanoalloy, molecular dynamic, atomic simulations, atomic packing

9.
Downloads 28 (1,372,601)

Abstract:

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surface, DFTB, defects, loading states, stress

10.

Investigating Adsorption of Single Sodium Atom on Defective Zigzag Graphene Nanoribbons Doped with Nitrogen Atoms at Electrical Level within Scc-Dftb Formalism

Number of pages: 17 Posted: 06 Jan 2024
Yang Cui and Lin Zhang
Northeastern University (USA) and Northeastern University (USA)
Downloads 28 (1,345,526)

Abstract:

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Graphene nanoribbons, DFTB, nitrogen doping, defects, Sodium Ion Batteries

11.
Downloads 21 (1,459,862)

Abstract:

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surface, DFTB, defects, loading states, stress

12.

Insight into Packing Structures as Well as Electrical States for Ti Nanoparticles on Heating Through Integrating Machine Learning Potential with a Md/Qm Hybrid Strategy

Number of pages: 20 Posted: 27 May 2025
Jie Liu and Lin Zhang
Northeastern University (USA) and Northeastern University (USA)
Downloads 17 (1,491,251)

Abstract:

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MLP, Structural transformation, DFTB, Electronic structures

13.

Studying Effects of Applying Strain and Doping Atoms On Li-Ion Transport Properties For Li 3 Obr 0.5 Cl 0.5 Anti-Perovskite Solid Lithium-Ion Electrolytes: Implications from Dft as Well as Aimd Calculations

Number of pages: 26 Posted: 26 Mar 2024
Guoyu Huang, Ying Yan, Lin Zhang and Yi Dong
Northeastern University (USA), Northeastern University (USA), Northeastern University (USA) and Saarland University
Downloads 17 (1,481,165)

Abstract:

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Strain, Doping, Solid electrolyte, Anti-perovskite, Li-ion migration, Li-ion conductivity

14.
Downloads 16 (1,491,251)

Abstract:

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surface, DFTB, defects, loading states, stress

15.

Deformation and Fracture Unveiled Through Stress Mediation in Γ-Tial Matrixes Having Tilt Grain Boundaries from Atomic Modeling

Number of pages: 22 Posted: 24 Jun 2025
Jie Liu and Lin Zhang
Northeastern University (USA) and Northeastern University (USA)
Downloads 12 (1,534,404)

Abstract:

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TiAl, Mechanical properties, grain boundaries, atomic dynamic, Lode-Nadai

16.

Enhancing Lithium-Ion Transport via Chlorine Doping, Point defects, and Cluster Rotation for Hydride Anti-Perovskite Electrolytes Li 3 XAlH 4  (X = O, S) through First-Principles Calculations

Number of pages: 55 Posted: 10 Feb 2026
Northeastern University (USA), Northeastern University (USA), Northeastern University (USA), Northeastern University (USA) and Saarland University
Downloads 9 (1,555,090)

Abstract:

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Hydride Anti-Perovskite, Solid-state electrolytes, Lithium-ion transport dynamics, Chlorine doping, Point defects, cluster dynamics