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High hydrogen evolution activities of dual-metal atoms incorporated N-doped graphenes achieved by coordination regulation

Open Access Research Article DOI: 10.20517/jmi.2023.34 2 Jan 2024
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Computational design of spatially confined triatomic catalysts for nitrogen reduction reaction

Open Access Research Article DOI: 10.20517/jmi.2023.35 20 Dec 2023
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Investigation of dual atom doped single-layer MoS2 for electrochemical reduction of carbon dioxide by first-principle calculations and machine-learning

Open Access Research Article DOI: 10.20517/jmi.2023.29 20 Nov 2023
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Regulating the electrocatalytic performance for nitrogen reduction reaction by tuning the N contents in Fe3@NxC20-x (x = 0~4): a DFT exploration

Open Access Research Article DOI: 10.20517/jmi.2023.32 2 Nov 2023
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Physics infused machine learning force fields for 2D materials monolayers

Open Access Research Article DOI: 10.20517/jmi.2023.31 2 Nov 2023
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Recent advances in the interface structure prediction for heteromaterial systems

Open Access Review DOI: 10.20517/jmi.2023.24 17 Oct 2023
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Understanding oxidation resistance of Pt-based alloys through computations of Ellingham diagrams with experimental verifications

Open Access Research Article DOI: 10.20517/jmi.2023.17 11 Oct 2023
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Characterizing the wetting behavior of 2D materials: a review

Open Access Review DOI: 10.20517/jmi.2023.27 13 Sep 2023
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Machine learning for prediction of CO2/N2/H2O selective adsorption and separation in metal-zeolites

Open Access Research Article DOI: 10.20517/jmi.2023.25 5 Sep 2023
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Recent advances and applications of machine learning in electrocatalysis

Open Access Review DOI: 10.20517/jmi.2023.23 30 Aug 2023
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Journal of Materials Informatics
ISSN 2770-372X (Online)
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