Challenges of modeling nanostructured materials for photocatalytic water splitting

Author:

Samanta Bipasa1,Morales-García Ángel2ORCID,Illas Francesc2ORCID,Goga Nicolae3,Anta Juan Antonio4ORCID,Calero Sofia5,Bieberle-Hütter Anja6ORCID,Libisch Florian7ORCID,Muñoz-García Ana B.8ORCID,Pavone Michele9ORCID,Caspary Toroker Maytal110ORCID

Affiliation:

1. Department of Materials Science and Engineering, Technion – Israel Institute of Technology, Haifa 3600003, Israel

2. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1-11, 08028 Barcelona, Spain

3. Faculty of Engineering in Foreign Languages, Universitatea Politehnica din Bucuresti, Bucuresti, Romania

4. Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Crta. De Utrera km. 1, 41089 Sevilla, Spain

5. Materials Simulation & Modeling, Department of Applied Physics, Eindhoven University of Technology, 5600 MB Eindhoven, The Netherlands

6. Electrochemical Materials and Interfaces, Dutch Institute for Fundamental Energy Research (DIFFER), 5600 HH Eindhoven, The Netherlands

7. Institute for Theoretical Physics, TU Wien, 1040 Vienna, Austria

8. Dipartimento di Fisica “Ettore Pancini”, Università di Napoli Federico II, Via Cintia 21, Napoli 80126, Italy

9. Dipartimento di Scienze Chimiche, Università di Napoli Federico II, Via Cintia 21, Napoli 80126, Italy

10. The Nancy and Stephen Grand Technion Energy Program, Technion – Israel Institute of Technology, Haifa 3600003, Israel

Abstract

The future challenges in modeling nano-photocatalysts involve combining different methods in a hierarchical way, a path that will provide understanding on how to design catalysts for producing fuel needed for a sustainable life in the future.

Funder

European Cooperation in Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Reference301 articles.

1. International Energy Agency Web Page, http://www.iea.org

2. The World Bank, http://data.worldbank.org/indicator/EG.USE.COMM.FO.ZS?end=2015&start=1960&view=chart (accessed May 2021)

3. Factors affecting the efficiency of a water splitting photocatalyst: A perspective

4. Hydrogen: the energy source for the 21st century

5. Recent Progress in Energy-Driven Water Splitting

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