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1 papers
Li Z., Jia J., Sang Z. et al. · Angewandte Chemie - International Edition · 2024
Reported here: M2-TCPP(Co) computational supercell models
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| M2-TCPP(Co) computational supercell models2024 · A Computation-Guided Design of Highly Defined and Dense Bimetallic Active Sites on a Two-Dimensional Conductive Metal–Organic Framework for Efficient H2O2 Electrosynthesis | M2-TCPP(Co), M2 = Mn, Fe, Co, Ni, CuCoN4 site A plus M2-O8 site B · TCPP | 2D · Model System2x2x1 supercell computational model | 3 · DFT Screening · Figure 1a |