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Understanding the Water Splitting Mechanism on WO3(001)—A Theoretical Approach
- Source :
- The Journal of Physical Chemistry C. 123:28233-28240
- Publication Year :
- 2019
- Publisher :
- American Chemical Society (ACS), 2019.
-
Abstract
- In this work we use different theoretical approaches to investigate the mechanism of water splitting on (001)-WO3. Using an LCAO approach with periodic boundary conditions, hybrid DFT functionals, ...
- Subjects :
- Physics
Work (thermodynamics)
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
General Energy
Classical mechanics
Linear combination of atomic orbitals
Periodic boundary conditions
Water splitting
Physical and Theoretical Chemistry
0210 nano-technology
Mechanism (sociology)
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 123
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........141365b018b6dbf6c4d725be69485522
- Full Text :
- https://doi.org/10.1021/acs.jpcc.9b08268