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24 积分 2023-05-02 加入
Critical Assessment of the Thermodynamics of Vacancy Formation in Fe2O3 Using Hybrid Density Functional Theory
1个月前
已完结
First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields
1个月前
已完结
Atomic-Scale Mapping of Interfacial Water on Oxide Surfaces via Proton-Resolved NMR and Ab Initio Simulations
1个月前
已完结
Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces
2个月前
已完结
Modulation of Interfacial Water at Gas–Liquid–Solid Interface for Water Electrolysis
2个月前
已完结
Machine-Learning Accelerated Computational Spectroscopy Reveals Vibrational Signature of the Oxidation Level of Graphene in Contact with Water
2个月前
已完结
The effect of surface vacancy on adsorption of HS on smithsonite (101) surface: A DFT study
4个月前
已完结
Advances in application of theoretical computations in copper oxide mineral flotation
7个月前
已完结
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