Khan A.H.H. · Physica Status Solidi (A) Applications and Materials Science · 2025 · 2500512
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
Among the simulated MOF HTLs, Cu3(HHTP) gives the best baseline 300 K PCE, closely followed by Sr-MoF.
Caveat: The section text has a likely typo of 25.26% for Cu3(HHTP), while abstract, Table 1 and conclusion report 24.26%.
p014 · Conclusion · Linked to 2 structured results
The paper is a SCAPS-1D computational modelling study and reports no first-hand MOF or device synthesis route.
Caveat: SI only contains equations, device schematic, model input tables and references.
p002 · Computational Methodology and Device Modeling
SCAPS-1D results should be treated as guiding predictions because 1D modelling omits grain boundaries, lateral inhomogeneity, ion migration, thermal degradation and detailed optical effects.
Caveat: This limitation comes from the authors theoretical-boundaries section.
p014 · 3.13. Theoretical Boundaries of SCAPS-1D Simulations
MOF/FASnI2Br band alignment is used to explain the PCE ranking: favourable Cu3(HHTP) and Sr-MoF offsets reduce recombination, while Cu-MoF has the poorest alignment.
Caveat: Band offsets are calculated from model electron affinities and bandgaps; several CBO values were read from Figure 6.
p007-p008 · 3.6. Energy Band Alignment · Figure 6 · Linked to 4 structured results
Increasing FASnI2Br defect density sharply decreases carrier lifetime and diffusion length, indicating defect-assisted recombination limits transport.
Caveat: Values are simulated and text-reported, not experimental measurements.
p003 · 3.1. FASnI2Br Carrier Lifetime and Diffusion Length · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| copper-doped strontium titanate | CSTOCu-doped SrTiO3 · not applicable | unknown · Model Systemelectron transport layer model input | p002 · Computational Methodology and Device Modeling |
| copper hexahydroxytriphenylene MOF | Cu3(HHTP)Cu coordination nodes · hexahydroxytriphenylene (HHTP) | unknown · Model Systemconductive MOF HTL model input | p001 · Introduction |
| Cu-MoF | not specifiedCu nodes · not specified | unknown · Model Systemconductive MOF HTL model input | p001 · Introduction |
| formamidinium tin iodide bromide | FASnI2BrSn(II) perovskite B-site · formamidinium with I/Br halides | 3D · Model Systemlead-free tin halide perovskite absorber model input | p001 · Abstract |
| Fe2(DSBDC)Browse family: Fe₂(DSBDC) | Fe2(DSBDC)Fe nodes · 2,5-disulfidobenzene-1,4-dicarboxylate (DSBDC) | unknown · Model Systemconductive MOF HTL model input | p001 · Introduction |
| fluorine-doped tin oxide | FTOSn oxide doped with F · not applicable | unknown · Model Systemtransparent conducting oxide model input | p002 · Supplementary Table 1 · Supplementary Table 1 |
| Mn2(DSBDC)Browse family: Mn₂(DSBDC) | Mn2(DSBDC)Mn nodes · 2,5-disulfidobenzene-1,4-dicarboxylate (DSBDC) | unknown · Model Systemconductive MOF HTL model input | p001 · Introduction |
| NTU-09 titanium metal-organic framework | NTU-09Ti nodes · not specified | unknown · Model Systemconductive MOF HTL model input | p001 · Introduction |
| Sr-MoF | not specifiedSr nodes · not specified | unknown · Model Systemconductive MOF HTL model input | p001 · Introduction |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| CSTO ETL model inputresearch_0187__mat__mat_csto | Model · Model System · Model | SCAPS-1D input parameterbetween FTO and FASnI2Br · 0.150 um | p002 · Supplementary Table 1 · Supplementary Table 1 |
| FTO/CSTO/FASnI2Br/Cu3(HHTP) model deviceresearch_0187__mat__mat_cu3_hhtp | Model · Model System · Model | SCAPS-1D simulated PSC configurationFTO/CSTO/FASnI2Br stack · MOF HTL 150 nm; absorber baseline 0.400 um | p002 · Computational Methodology and Device Modeling |
| FTO/CSTO/FASnI2Br/Cu-MoF model deviceresearch_0187__mat__mat_cu_mof | Model · Model System · Model | SCAPS-1D simulated PSC configurationFTO/CSTO/FASnI2Br stack · MOF HTL 150 nm; absorber baseline 0.400 um | p002 · Computational Methodology and Device Modeling |
| FTO/CSTO/FASnI2Br/Fe2(DSBDC) model deviceresearch_0187__mat__mat_fe2_dsbdc | Model · Model System · Model | SCAPS-1D simulated PSC configurationFTO/CSTO/FASnI2Br stack · MOF HTL 150 nm; absorber baseline 0.400 um | p002 · Computational Methodology and Device Modeling |
| FTO/CSTO/FASnI2Br/Mn2(DSBDC) model deviceresearch_0187__mat__mat_mn2_dsbdc | Model · Model System · Model | SCAPS-1D simulated PSC configurationFTO/CSTO/FASnI2Br stack · MOF HTL 150 nm; absorber baseline 0.400 um | p002 · Computational Methodology and Device Modeling |
| FTO/CSTO/FASnI2Br/NTU-09 model deviceresearch_0187__mat__mat_ntu09 | Model · Model System · Model | SCAPS-1D simulated PSC configurationFTO/CSTO/FASnI2Br stack · MOF HTL 150 nm; absorber baseline 0.400 um | p002 · Computational Methodology and Device Modeling |
| FTO/CSTO/FASnI2Br/Sr-MoF model deviceresearch_0187__mat__mat_sr_mof | Model · Model System · Model | SCAPS-1D simulated PSC configurationFTO/CSTO/FASnI2Br stack · MOF HTL 150 nm; absorber baseline 0.400 um | p002 · Computational Methodology and Device Modeling |
| FASnI2Br absorber model inputresearch_0187__mat__mat_fasni2br | Model · Model System · Model | SCAPS-1D absorber model and optimisation sweepsbetween CSTO and MOF HTL · 0.400 um baseline; swept 0.1-1.0 um | p002 · Supplementary Table 1 · Supplementary Table 1 |
| FTO model inputresearch_0187__mat__mat_fto | Model · Model System · Model | SCAPS-1D input parameterfront contact/conductive glass · 0.05 um | p002 · Supplementary Table 1 · Supplementary Table 1 |