Mingyang Shi

Sichuan University

No. 24 South Section1, Yihuan Road,

Chengdu, 610064

China

SCHOLARLY PAPERS

6

DOWNLOADS

137

TOTAL CITATIONS

0

Scholarly Papers (6)

1.

The Capture Performance of An-Mof for Fission Gases: Insight from Dft and Aimd Calculations

Number of pages: 22 Posted: 03 Aug 2023
Sichuan University, Sichuan University, Sichuan University, Sichuan University and Sichuan University
Downloads 30 (1,046,374)

Abstract:

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Fission gases, M-8-SBU (M = Th and U), Density functional theory, Ab initio molecular dynamics

2.

First Principles Study of Fen (N=1–10, 13) Clusters on the Graphdiyne Surface: Configurations, Electronic and Magnetic Properties

Number of pages: 16 Posted: 10 Oct 2022
Sichuan University, Sichuan University, Sichuan University, Sichuan University and Sichuan University
Downloads 30 (1,046,374)

Abstract:

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DFT, Fen clusters, graphdiyne, magnetic properties, electronic structures

3.

Metal-Decorated M-Graphene for Promising Hydrogen Storage Capability

Number of pages: 30 Posted: 25 Jan 2024
Sichuan University, Sichuan University, Sichuan University, Sichuan University, Chengdu University of Technology and Sichuan University
Downloads 28 (1,069,434)

Abstract:

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M-graphene, DFT, AIMD simulations, adsorption energy, gravimetric density, thermodynamic properties

4.

Adsorption of Actinyl Ions On Gibbsite Basal Surface: A Dft-D3 Study

Number of pages: 18 Posted: 15 Oct 2022
Sichuan University, Sichuan University, Sichuan University, Sichuan University and Sichuan University
Downloads 22 (1,142,214)

Abstract:

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DFT, Adsorption mechanism, Gibbsite surface, Actinyl aqua complexes.

5.

Coating of ThO2 (111) Surface with Two−Dimensional Sheets for Potential Corrosion Protection

Number of pages: 42 Posted: 11 Feb 2024
Jiguang Du, Mingyang Shi and Gang Jiang
Sichuan University, Sichuan University and Sichuan University
Downloads 14 (1,239,510)

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ThO2 surface, 2D sheet, corrosion protection, first−principles calculations

6.

Configurations, Electronic And Magnetic Properties Of Small-Sized Iron Clusters on The Graphdiyne Surface

Number of pages: 16 Posted: 03 Apr 2023
Sichuan University, Sichuan University, Sichuan University, Sichuan University and Sichuan University
Downloads 13 (1,251,090)

Abstract:

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DFT, Fen clusters, graphdiyne, magnetic properties, electronic structures