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Ghulam Meeladi

affiliation not provided to SSRN

SCHOLARLY PAPERS

4

DOWNLOADS

90

TOTAL CITATIONS

0

Scholarly Papers (4)

1.

A Computational Screening Study of Dual-Metal M1M2@1T-MoS2 with Various Coordination Environments as Catalysts for the Hydrogen Evolution Reaction

Number of pages: 18 Posted: 12 Dec 2025
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, North China Electric Power University and affiliation not provided to SSRN
Downloads 30 (1,332,057)

Abstract:

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Keywords: Density Functional Theory (DFT), Free Energy Prioritization, First-Principles Calculations, Electrochemical Hydrogen Evolution Reaction (HER), Dual-Atom Catalysts (DACs), Composite Modulation Strategy.

2.

D-S/P Orbital Hybridization-Driven Synergy in Heteronuclear Dual-Atom Catalysts on Cn/C2n for High-Efficiency Lithium-Sulfur Batteries

Number of pages: 43 Posted: 28 Jul 2025
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and North China Electric Power University
Downloads 28 (1,372,601)

Abstract:

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Lithium-sulfur battery, Dual-atom catalysts, Density Functional Theory, Orbital hybridization

3.

Turning main-group elements (Mg, Ca, Al and Sn) into high performance single-atom electrocatalysts for lithium-sulfur batteries: A DFT investigation

Number of pages: 34 Posted: 02 May 2026
affiliation not provided to SSRN, affiliation not provided to SSRN, Government College University Lahore, affiliation not provided to SSRN, affiliation not provided to SSRN, University of Agriculture Faisalabad, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and North China Electric Power University
Downloads 24 (1,526,714)

Abstract:

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Lithium-sulfur batteries, DFT, binding strength, free energy, sulfur reduction reaction

4.

Triple Synergistic Regulation: N‑Doped Graphene/MoP‑Supported Single-Atom Catalysts for Hydrogen Evolution Reaction

Number of pages: 21 Posted: 28 Apr 2026
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and North China Electric Power University
Downloads 8 (1,561,096)

Abstract:

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Hydrogen Evolution Reaction, Heterojunction, Single-Atom Catalysts, Coordination Environment, Multi-Dimensional Synergistic Regulation, Density Functional Theory