Sökning: onr:"swepub:oai:DiVA.org:bth-15918" >
A DFT study on modi...
A DFT study on modification mechanism of (N,S) interstitial co-doped rutile TiO2
-
- Chen, Hao (författare)
- Kunming University of Science & Technology, CHI
-
- Li, Xuechao (författare)
- Kunming University of Science & Technology, CHI
-
- Wan, Rundong (författare)
- Kunming University of Science & Technology, CHI
-
visa fler...
-
- Kao-Walter, Sharon (författare)
- Blekinge Tekniska Högskola,Institutionen för maskinteknik
-
- Lei, Ying (författare)
- Anhui University of Technology, CHI
-
- Leng, Chongyan (författare)
- Kunming University of Science & Technology, CHI
-
visa färre...
-
(creator_code:org_t)
- Elsevier B.V. 2018
- 2018
- Engelska.
-
Ingår i: Chemical Physics Letters. - : Elsevier B.V.. - 0009-2614 .- 1873-4448. ; 695, s. 8-18
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- To obtain a more efficient (N,S) co-doping scheme, we systematically analyze the geometrical parameters, density of states, charge densities, relative dielectric functions and UV–Vis absorption spectra for pure, N/S substitution/interstitial doped and (N,S) substitution/interstitial co-doped TiO2 by using density functional calculations. Compared with (N,S) substitution co-doping, (N,S) interstitial co-doping TiO2 exhibits a more obvious red-shift of absorption edge, because of the band gap is further reduced. Furthermore, there are shallow impurity levels coupling with the top of valence band. The calculated UV–Vis absorption spectra illustrate that (N,S) interstitial co-doping TiO2 has much higher photocatalytic activity in the visible light region. © 2018
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Annan maskinteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Other Mechanical Engineering (hsv//eng)
Nyckelord
- Band gap
- Co-doping
- Impurity states
- Photocatalytic activity
- Rutile TiO2
- Electromagnetic wave absorption
- Energy gap
- Geometry
- High-k dielectric
- Oxide minerals
- Photocatalysis
- Titanium dioxide
- Impurity state
- Modification mechanism
- Photocatalytic activities
- Relative dielectric
- Shallow impurities
- Visible light region
- Titanium compounds
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas