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Updated: Apr 13, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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在纳米结构氧化铁膜上对水化学的原子尺度视图

Jijin Yang1, Eleonora Ascrizzi2, Mattia Cattelan1,3,4

  • 1Department of Chemical Sciences, University of Padova, Padova 35131, Italy.

Nano letters
|September 20, 2024
PubMed
概括

水与氧化铁表面的相互作用显示了纳米级控制基化. 水友和疏水域创造六角形的模式,指导水分子集群的形成.

关键词:
DFT计算的计算方法铁氧化物 铁氧化物扫描道显微镜扫描道显微镜水化学 水的化学

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Microbes and Other Elemental Cycles01:24

Microbes and Other Elemental Cycles

Microbial activity plays a pivotal role in the biogeochemical cycling of iron and manganese, especially at the redox gradients characteristic of stratified aquatic environments. These cycles are driven by microbial transformations between oxidized and reduced forms of the metals, allowing organisms to exploit them for metabolic energy and structural purposes.Iron Cycling Across Redox GradientsIn neutral, oxygen-rich surface waters, iron is predominantly found in its oxidized, insoluble ferric...
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