An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides
Abstract
:1. Background & Summary
2. Methods
2.1. Data Acquisition
2.2. Data Analysis
3. Usage Notes
Author Contributions
Funding
Conflicts of Interest
Abbreviations
DSSC | Dye Sensitized Solar Cells |
JSME | JavaScript Molecule Editor |
RECAP | Retrosynthetic Combinatorial Analysis Procedure |
OPSIN | Open Parser for Systematic IUPAC nomenclature |
SMILES | simplified molecular-input line-entry system |
References
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Key | Description | Data Type |
---|---|---|
DOI | Source document Digital Object Identifier | String |
STRUCTURE | Dye molecules stored in SMILES format | |
Observed maximum wavelength in solvent (in nm) | Float | |
Observed maximum wavelength in the metal oxide (in nm) | Float | |
SOLVENT | Solvent used for recording spectra | String |
METAL OXIDE | Semiconductor metal oxide | String |
AGGREGATION | Hypsochromic/Bathochromic/Unchanged | String |
Metal Oxide | #Entries |
---|---|
TiO2 | 3988 |
ZnO | 28 |
NiO | 16 |
Al2O3 | 3 |
Solvent | #Entries | Solvent | #Entries |
---|---|---|---|
1,2-dichlorobenzene | 7 | acetic acid/dichloromethane | 22 |
1,2-dichloroethane | 4 | acetonitrile/ethanol | 4 |
1,4-dioxane | 39 | acetonitrile/tert-butanol | 42 |
acetic acid | 1 | chloroform/ethanol | 9 |
acetone | 13 | chloroform/methanol | 66 |
chlorobenzene | 10 | chloroform/methanol/triethylamine | 3 |
chloroform | 455 | dichloromethane/ethanol | 27 |
dichloromethane | 1218 | dichloromethane/dimethylformamide | 1 |
dimethyl sulfoxide | 59 | dichloromethane/methanol | 15 |
dimethylformamide | 312 | dichloromethane/tetrahydrofuran | 21 |
ethanol | 339 | dimethyl sulfoxide/acetonitrile | 6 |
ethyl acetate | 11 | dimethyl sulfoxide/ethanol | 8 |
hexane | 7 | dimethylformamide/ethanol | 5 |
methanol | 92 | dimethylformamide/methanol | 3 |
N-Methyl-2-Pyrrolidone | 1 | dimethylformamide/water | 3 |
tetrahydrofuran | 953 | ethanol/tetrahydrofuran | 2 |
toluene | 96 | ethyl acetate/methanol | 4 |
tetrahydrofuran/toluene | 13 |
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Venkatraman, V.; Kallidanthiyil Chellappan, L. An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. Data 2020, 5, 45. https://doi.org/10.3390/data5020045
Venkatraman V, Kallidanthiyil Chellappan L. An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. Data. 2020; 5(2):45. https://doi.org/10.3390/data5020045
Chicago/Turabian StyleVenkatraman, Vishwesh, and Lethesh Kallidanthiyil Chellappan. 2020. "An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides" Data 5, no. 2: 45. https://doi.org/10.3390/data5020045