Journal
CHEMCATCHEM
Volume 11, Issue 24, Pages 6460-6466Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.201901924
Keywords
descriptor; electron-hole separation; charge injection; dye-sensitized semiconductors; H-2 evolution
Categories
Funding
- DST-Nanomission, Govt. of India [SR/NM/NS-1285/2014, SR/NM/TP-13/2016]
- DST-SERB, Govt. of India [EMR/2016/005275]
Ask authors/readers for more resources
Discovering efficient photocatalysts for hydrogen production from water splitting is highly desirable. Computational studies can help in rational designing of such catalysts through high throughput screening of materials. However, for that purpose one needs to identify descriptors that not only connects material properties with their functionality but are easy and inexpensive to compute. Using a combination of density functional theory based calculations and experiments we show two descriptors, namely, charge injection efficiency and electron hole separation, that can be used for in silico design of new and efficient dye-sensitized-semiconductor composites as catalysts for hydrogen evolution reaction.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available