echemdb Package

Data package schema for echemdb, composing with the Frictionless Data Package standard. See the schema reference for detailed field descriptions.

{
    "resources": [
        {
            "name": "alves_2011_electrochemistry_6010_f1a_solid",
            "type": "table",
            "path": "alves_2011_electrochemistry_6010_f1a_solid.csv",
            "scheme": "file",
            "format": "csv",
            "mediatype": "text/csv",
            "encoding": "utf-8",
            "schema": {
                "fields": [
                    {
                        "name": "t",
                        "type": "number",
                        "unit": "s"
                    },
                    {
                        "name": "E",
                        "type": "number",
                        "unit": "V",
                        "reference": "RHE"
                    },
                    {
                        "name": "j",
                        "type": "number",
                        "unit": "A / m2"
                    }
                ]
            },
            "metadata": {
                "echemdb": {
                    "echemdbSchemaVersion": "0.7.1",
                    "system": {
                        "type": "electrochemical",
                        "electrodes": [
                            {
                                "name": "REF",
                                "function": "reference electrode",
                                "source": {
                                    "manufacturer": "homemade"
                                },
                                "type": "RHE"
                            },
                            {
                                "name": "WE",
                                "function": "working electrode",
                                "crystallographicOrientation": "0001",
                                "material": "Ru",
                                "preparationProcedure": {
                                    "description": [
                                        "Sputtering and flash annealing under UHV conditions with repeated cycles of oxygen adsorption and desorption."
                                    ]
                                },
                                "shape": {
                                    "height": {
                                        "unit": "mm",
                                        "value": 2
                                    },
                                    "type": "hat shaped"
                                },
                                "source": {
                                    "manufacturer": "MaTecK"
                                }
                            }
                        ],
                        "electrolyte": {
                            "components": [
                                {
                                    "name": "H2O",
                                    "proportion": {
                                        "unit": "volume percent",
                                        "value": 100
                                    },
                                    "source": {
                                        "quality": "ultrapure water",
                                        "refinement": "Millipore MilliQ"
                                    },
                                    "type": "solvent"
                                },
                                {
                                    "concentration": {
                                        "unit": "mol / l",
                                        "value": 0.1
                                    },
                                    "name": "HClO4",
                                    "source": {
                                        "supplier": "Merck Suprapur"
                                    },
                                    "type": "acid"
                                }
                            ],
                            "ph": {
                                "value": 1
                            },
                            "temperature": {
                                "unit": "K",
                                "value": 298.15
                            },
                            "type": "aqueous"
                        }
                    },
                    "source": {
                        "citationKey": "alves_2011_electrochemistry_6010",
                        "url": "https://doi.org/10.1039/C0CP01001D",
                        "originalFilename": "YYYY-MM-DD_my_experiment001.csv",
                        "figure": "1a",
                        "curve": "solid",
                        "bibdata": "@article{alves_2011_electrochemistry_6010,\n    author = {Alves, Otavio B and Hoster, Harry E and Behm, Rolf J{\\\"u}rgen},\n    title = \"Electrochemistry at Ru(0001) in a flowing CO-saturated electrolyte—reactive and inert adlayer phases\",\n    journal = \"Physical Chemistry Chemical Physics\",\n    volume = \"13\",\n    number = \"13\",\n    pages = \"6010--6021\",\n    year = \"2011\",\n    publisher = \"Royal Society of Chemistry\",\n    abstract = \"We investigated the electrochemical oxidation and reduction processes on ultrahigh vacuum prepared, smooth and structurally well-characterized Ru(0001) electrodes in a CO-saturated and, for comparison, in a CO-free flowing HClO4 electrolyte by electrochemical methods and by comparison with previous structural data. Structure and reactivity of the adsorbed layers are largely governed by a critical potential of E = 0.57 V, which determines the onset of Oad formation on the COad saturated surface in the positive-going scan and of Oadreduction in the negative-going scan. Oad formation proceeds via nucleation and 2D growth of high-coverage Oad islands in a surrounding COad phase, and it is connected with COadoxidation at the interface between the two phases. In the negative-going scan, mixed (COad + Oad) phases, most likely a (2 $\\times$ 2)-(CO + 2O) and a (2$\\times$2)-(2CO + O), are proposed to form at E $<$ 0.57 V by reduction of the Oad-rich islands and CO adsorption into the resulting lower-density Oad structures. CO bulk oxidation rates in the potential range E $>$ 0.57 V are low, but significantly higher than those observed during oxidation of pre-adsorbed CO in the CO-free electrolyte. We relate this to high local COad coverages due to CO adsorption in the CO-saturated electrolyte, which lowers the CO adsorption energy and thus the barrier for COadoxidation during CO bulk oxidation.\"\n}\n"
                    },
                    "curation": {
                        "process": [
                            {
                                "role": "curator",
                                "name": "Albert Engstfeld",
                                "orcid": "https://orcid.org/0000-0002-9686-3948",
                                "date": "2021-07-09"
                            },
                            {
                                "role": "reviewer",
                                "name": "Albert Engstfeld",
                                "orcid": "https://orcid.org/0000-0002-9686-3948",
                                "date": "2022-01-21"
                            }
                        ]
                    },
                    "experimental": {
                        "tags": [
                            "BCV",
                            "HER"
                        ]
                    },
                    "figureDescription": {
                        "type": "digitized",
                        "simultaneousMeasurements": [],
                        "measurementType": "CV",
                        "fields": [
                            {
                                "name": "E",
                                "type": "number",
                                "unit": "V",
                                "orientation": "horizontal",
                                "reference": "RHE"
                            },
                            {
                                "name": "j",
                                "type": "number",
                                "unit": "mA / cm2",
                                "orientation": "vertical"
                            }
                        ],
                        "comment": "",
                        "scanRate": {
                            "value": 0.05,
                            "unit": "V / s"
                        }
                    }
                }
            }
        }
    ]
}