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Ontology for representing photocatalysis, electrocatalysis and fotoelectrocatalysis experiments

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SolarChem Ontology

Authors: Oier Beaskoetxea

Contributors: Ana Iglesias, Oscar Corcho, Daniel Garijo, Victor de la Peña O'Shea.

Vocabulary for the representation of photocatalysis processes mentioned in scientific papers. These experiments serve to define how a photocatalysis experiment has been done; under what circumstances, what products were used and what have been the results in order to analyze and reproduce the experiments mentioned in the articles. This vocabulary has been created in collaboration with the IMDEA Energía institute of Madrid.

This vocabulary is based on data used by the IMDEA Energy institute as part of its Artleafs project. This project is dedicated to storing information regarding scientific articles related to the field of artificial photosynthesis, which is used to report how the photocatalysis experiments are done, to facilitate access to information and reproducibility of the same. The vocabulary also reuses concepts from other ontologies such as the Bibliographic Ontology (BIBO) and schema.org to represent articles that define the experiments and their authors; Chemical Entities of Biological Interest (ChEBI) used to represent chemical elements and Quantities, Units, Dimensions, and Types (QUDT) for quantities and units of measure.

Availability

The landing page of the ontology is accessible at https://w3id.org/solar/. Solarchem is divided in 4 modules:

  • The solarchem core module: https://w3id.org/solar/o/core
  • The SolarChem Photocatalysis module: https://w3id.org/solar/o/pc
  • The SolarChem Electrocatalysis module: http://w3id.org/solar/o/ec
  • The SolarChem Photoelectrocatalysis: http://w3id.org/solar/o/pec

All modules are available in a machine-readable manner with content negotiation. For example, to download a module in turtle, just issue the following command:

curl -sH "Accept:text/turtle"  -L https://w3id.org/solar/o/core

Purpose and scope of the vocabulary

This vocabulary focuses on the representation of photocatalysis processes described in scientific articles. The vocabulary defines several classes and properties that allow describing such experiments, being the class phcat:MaterialTransformationProcess the central axis of it and defining through its properties the context of the complete experiment, such as the input chemicals and output, defined as phcat:Input and phcat:Output; the conditions to perform the process, defined by phcat:Condition; and the article that mentions them by an element of the class bibo:Article. In addition to these characteristics, material transformation processes have information that characterizes them, such as phcat:operationMode, phcat:Eg or energy band, phcat:BET or Surface Area and phcat:Yield.

The elements of bibo:Article refer to the article in which the process is described. Among its properties are informative data about it, as well as relationships with the elements bibo:Journal and schema:Person. The latter also contain information including schema:Country useful for searching by the researchers country of affiliation. The elements of the classes phcat:Input and phcat:Output store a reference of type phcat:hasChemical with the class chebi:CHEBI_24431 (a chemical) but only the input elements fulfill a role of type phcat:MaterialTransformationProcess for the process . On the other hand, the process can have several types of conditions, all of them subclasses of phcat:Condition, which represent an element measurable by some unit of measure and quantities of the QUDT ontology such as qudt:Unit and qudt:value.

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Ontology for representing photocatalysis, electrocatalysis and fotoelectrocatalysis experiments

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