Optimized structures of reduced graphene-oxide with metal ions
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https://data.mendeley.com/datasets/44tdcdyx68
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资源简介：
The presented dataset is composed of optimized structures of the finite size reduced graphene oxide
with adsorbed transition metal ions. Geometry optimizations were performed using dispersion
corrected density functional theory, taking into account different metal ions in different spin states, and
three adsorption sites for each metal ion were considered.
创建时间：
2025-06-10
