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yanxi Yin

National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals

Beijing, 101407

China

SCHOLARLY PAPERS

3

DOWNLOADS

154

TOTAL CITATIONS

0

Scholarly Papers (3)

1.

Modeling Strategies for Hydrogen Reduction of High-Purity Metals: From DFT to ReaxFF and Machine Learning

Number of pages: 47 Posted: 12 Sep 2025
National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, Northeastern University (USA) and National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals
Downloads 62 (961,006)

Abstract:

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high-purity metals, hydrogen reduction, DFT, ReaxFF, machine-learning interatomic potentials

2.

Integrated Experimental and Computational Investigation of the Hydrogen Reduction Mechanism of MoO₃

Number of pages: 21 Posted: 25 Nov 2025
National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, Northeastern University (USA) and National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals
Downloads 57 (989,921)

Abstract:

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Molybdenum trioxide (MoO₃), Hydrogen reduction, Oxygen vacancies, ReaxFF molecular dynamics, Density functional theory (DFT)

3.

Unveiling the Role of CE 4f Orbitals in Modulating Mno₂ Oxygen Evolution Reaction Performance

Number of pages: 20 Posted: 10 Jun 2025
North China University of Water Resources and Electric Power, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, North China University of Water Resources and Electric Power, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals, National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals and National Engineering Research Center for Environment-friendly Metallurgy in Producing Premium Non-ferrous Metals
Downloads 35 (1,263,436)

Abstract:

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xygen evolution reaction, electron-orbit coupling, β-MnO2, non-precious metals