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0 积分 2022-11-17 加入
A systematic ab initio study of vacancy formation energy, diffusivity, and ionic conductivity of Ln2NiO4+δ (Ln=La, Nd, Pr)
5天前
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
5天前
已完结
Properties of amorphous and crystalline titanium dioxide from first principles
5个月前
已完结
AIMD study and experimental verification of Ge-doped Fe80P13C7 amorphous soft magnetic alloys
5个月前
已完结
Melting of Zeolitic Imidazolate Frameworks with Different Topologies: Insight from First-Principles Molecular Dynamics
5个月前
已完结
Rational Design of Water Splitting Electrocatalysts through Computational Insights
5个月前
已完结
Microscopic insight into catalytic HCN removal over the CuO surface in chemical looping combustion
6个月前
已完结
Hybrid functionals applied to rare-earth oxides: The example of ceria
7个月前
已完结
Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO
7个月前
已完结
First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S4
7个月前
已完结
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