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Li Z., Jia J., Sang Z. et al. · Angewandte Chemie - International Edition · 2024
Reported here: TCPP(M1) computational monomer models
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| TCPP(M1) computational monomer 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 | TCPP(M1), M1 = Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd, Ag, Re, Os, Ir, Pt, Ausingle M1-N4 porphyrinic site · TCPP | 0D · Model SystemDFT monomer model for site-A screening | 2 · DFT Screening · Figure 1b |