Sökning: id:"swepub:oai:DiVA.org:kth-121484" >
Graphene oxide as a...
Graphene oxide as a chemically tunable 2-D material for visible-light photocatalyst applications
-
- Jiang, Xue (författare)
- KTH,Tillämpad materialfysik
-
- Nisar, Jawad (författare)
- Uppsala universitet,Materialteori
-
- Pathak, Biswarup (författare)
- Uppsala universitet,Materialteori
-
visa fler...
-
Zhao, Jijun (författare)
-
- Ahuja, Rajeev (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
-
visa färre...
-
(creator_code:org_t)
- Elsevier BV, 2013
- 2013
- Engelska.
-
Ingår i: Journal of Catalysis. - : Elsevier BV. - 0021-9517 .- 1090-2694. ; 299, s. 204-209
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- To elucidate the usage of graphene oxide (GO) as a photocatalysis material, we have studied the effect of epoxy and hydroxyl functionalization on the electronic structure, work function, CBM/VBM position, and optical absorption spectra of GO using density functional theory calculations. By varying the coverage and relative ratio of the surface epoxy (-O-) and hydroxyl (-OH) groups, both band gap and work function of the GO materials can be tuned to meet the requirement of photocatalyst. Interestingly, the electronic structures of GO materials with 40-50% (33-67%) coverage and OH:O ratio of 2:1(1:1) are suitable for both reduction and oxidation reactions for water splitting. Among of these systems, the GO composition with 50% coverage and OH:O (1:1) ratio can be very promising materials for visible-light-driven photocatalyst. Our results not only explain the recent experimental observations about 2-D graphene oxide as promising visible-light-driven photocatalyst materials but can also be very helpful in designing the optimal composition for higher performance.
Nyckelord
- Ab initio calculation
- Photolysis
- Energy conversion
- Renewable resource
- Water splitting
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas