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RESEARCH PAPER · Applied Surface Science · 2024

Insights into the dynamics of supported Au nanoparticles in the wet environments from first-principles and ReaxFF MD simulations

Siyuan Yang, Shuang Li, Weiwei Zhang, Langli Luo, Xing Chen

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6 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Insights into the dynamics of supported Au nanoparticles in the wet environments from first-principles and ReaxFF MD simulationsOriginalTotally defined catalysis as a new paradigm for describing catalytic systems by combining advanced analytics and machine learning techniques2Evaluating the chemical kinetics of aluminium/alumina/water reactions using molecular dynamics7Nano-molecular response of bituminous coal to ScCO₂ at different stage: Experiments and ReaxFF-MD/DFT insights0Adsorptive, electrochemical and computational approaches for the recovery of precious metals from wastewater2CO‐Induced Structural Flexibility in Cu and Au Nano‐Catalysts0Machine Learning Paradigm for Advanced Battery Electrolyte Development18

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  1. Totally defined catalysis as a new paradigm for describing catalytic systems by combining advanced analytics and machine learning techniques

    Advances in organometallic chemistry · 2025-01-01

    Alexey S. Galushko, Vera A. Cherepanova, Valentine P. Ananikov

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  2. Evaluating the chemical kinetics of aluminium/alumina/water reactions using molecular dynamics

    Computational Materials Science · 2025-05-21

    Hao Zhao, Yingjia Zhang, Yuncong Liu, Zuohua Huang

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  3. Nano-molecular response of bituminous coal to ScCO₂ at different stage: Experiments and ReaxFF-MD/DFT insights

    Fuel Processing Technology · 2025-08-19

    Kui Dong, Jianhua Xiang, Shaoqi Kong, Bingyi Jia, Zhiyu Niu

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  4. Adsorptive, electrochemical and computational approaches for the recovery of precious metals from wastewater

    RSC Advances · 2026-01-01

    Ayesha Taj, Suniya Shahzad, Afzal Shah, Mustafa Tüzen, Abdul Haleem

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  5. CO‐Induced Structural Flexibility in Cu and Au Nano‐Catalysts

    ChemCatChem · 2026-01-01

    Rasmus Svensson, Alvaro Posada-Borbón, Henrik J. Grönbeck

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  6. Machine Learning Paradigm for Advanced Battery Electrolyte Development

    Carbon Energy · 2026-04-19

    Chang Su, Mengfan Pei, Keyu Chen, Xigao Jian, Fangyuan Hu

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