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Dual-site OER mechanism exploration through regulating asymmetric multi-site NiOOH
2个月前
已完结
Deprotonation and cation adsorption on the NiOOH/water interface: A grand-canonical first-principles investigation
2个月前
已完结
A systematic ab initio study of vacancy formation energy, diffusivity, and ionic conductivity of Ln2NiO4+δ (Ln=La, Nd, Pr)
3个月前
已完结
Relativistic effects in the band structure of Nd-doped La2O3: A DFT-based computational study employing GGA+U+SOC approach for optical and thermoelectric optimization in PC-LEDs
3个月前
已完结
Properties of amorphous and crystalline titanium dioxide from first principles
9个月前
已完结
AIMD study and experimental verification of Ge-doped Fe80P13C7 amorphous soft magnetic alloys
9个月前
已完结
Melting of Zeolitic Imidazolate Frameworks with Different Topologies: Insight from First-Principles Molecular Dynamics
9个月前
已完结
Rational Design of Water Splitting Electrocatalysts through Computational Insights
9个月前
已完结
Microscopic insight into catalytic HCN removal over the CuO surface in chemical looping combustion
10个月前
已完结
Hybrid functionals applied to rare-earth oxides: The example of ceria
10个月前
已完结
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