FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4311458203> ?p ?o ?g. }

• W4311458203 endingPage "156042" @default.
• W4311458203 startingPage "156042" @default.
• W4311458203 abstract "We present first-principles density functional theory calculations for the structural, electronic, and optical properties for the Pr-doped anatase TiO2(101) surface. The DFT+U formalism is used to describe the strong correlations arising from the localized Ti 3d and Pr 4f orbitals. The incorporation of Pr into the surface results in the impurity states fall into the band gap, improving the optical activity of the TiO2(101) surface both in the UV–visible and the near-IR range. In addition, we probe the adsorbate–dopant interaction using benzoic acid, a prototypical dye molecule as an example. Molecular adsorption energies as well as the optical properties are improved as a result of the inclusion of Pr." @default.
• W4311458203 created "2022-12-26" @default.
• W4311458203 creator A5028837597 @default.
• W4311458203 creator A5066523450 @default.
• W4311458203 creator A5008191522 @default.
• W4311458203 date "2023-03-01" @default.
• W4311458203 modified "2023-10-18" @default.
• W4311458203 title "Density functional theory investigation of Pr adsorption on the anatase TiO<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si13.svg display=inline id=d1e2774><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>(101) surface for photovoltaic applications" @default.
• W4311458203 cites W1965575064 @default.
• W4311458203 cites W1966156734 @default.
• W4311458203 cites W1966665346 @default.
• W4311458203 cites W1970127494 @default.
• W4311458203 cites W1976068374 @default.
• W4311458203 cites W1976140311 @default.
• W4311458203 cites W1977897008 @default.
• W4311458203 cites W1979464887 @default.
• W4311458203 cites W1980216394 @default.
• W4311458203 cites W1981368803 @default.
• W4311458203 cites W1984894027 @default.
• W4311458203 cites W1985263859 @default.
• W4311458203 cites W1985553279 @default.
• W4311458203 cites W1986636527 @default.
• W4311458203 cites W1986731219 @default.
• W4311458203 cites W1992358055 @default.
• W4311458203 cites W1994653255 @default.
• W4311458203 cites W1995799160 @default.
• W4311458203 cites W1997823712 @default.
• W4311458203 cites W1997879260 @default.
• W4311458203 cites W2003708885 @default.
• W4311458203 cites W2006527671 @default.
• W4311458203 cites W2007395042 @default.
• W4311458203 cites W2011803081 @default.
• W4311458203 cites W2012156036 @default.
• W4311458203 cites W2012725746 @default.
• W4311458203 cites W2013266493 @default.
• W4311458203 cites W2014947190 @default.
• W4311458203 cites W2016297455 @default.
• W4311458203 cites W2022085321 @default.
• W4311458203 cites W2024564670 @default.
• W4311458203 cites W2024918745 @default.
• W4311458203 cites W2031190559 @default.
• W4311458203 cites W2032373360 @default.
• W4311458203 cites W2034422827 @default.
• W4311458203 cites W2035479485 @default.
• W4311458203 cites W2038523979 @default.
• W4311458203 cites W2042492216 @default.
• W4311458203 cites W2044057954 @default.
• W4311458203 cites W2044591029 @default.
• W4311458203 cites W2044606593 @default.
• W4311458203 cites W2045478940 @default.
• W4311458203 cites W2047877383 @default.
• W4311458203 cites W2051551970 @default.
• W4311458203 cites W2053293611 @default.
• W4311458203 cites W2056417878 @default.
• W4311458203 cites W2056499306 @default.
• W4311458203 cites W2057230161 @default.
• W4311458203 cites W2057824833 @default.
• W4311458203 cites W2060928146 @default.
• W4311458203 cites W2062639935 @default.
• W4311458203 cites W2063101799 @default.
• W4311458203 cites W2063132420 @default.
• W4311458203 cites W2071790669 @default.
• W4311458203 cites W2077197084 @default.
• W4311458203 cites W2079105963 @default.
• W4311458203 cites W2079243768 @default.
• W4311458203 cites W2081539507 @default.
• W4311458203 cites W2083222334 @default.
• W4311458203 cites W2083739577 @default.
• W4311458203 cites W2087698390 @default.
• W4311458203 cites W2088281102 @default.
• W4311458203 cites W2090932891 @default.
• W4311458203 cites W2091633783 @default.
• W4311458203 cites W2092085220 @default.
• W4311458203 cites W2092601723 @default.
• W4311458203 cites W2093307998 @default.
• W4311458203 cites W2110540540 @default.
• W4311458203 cites W2116327492 @default.
• W4311458203 cites W2119607070 @default.
• W4311458203 cites W2132472832 @default.
• W4311458203 cites W2133329106 @default.
• W4311458203 cites W2138405719 @default.
• W4311458203 cites W2138503042 @default.
• W4311458203 cites W2140272697 @default.
• W4311458203 cites W2145274462 @default.
• W4311458203 cites W2156125813 @default.
• W4311458203 cites W2158108855 @default.
• W4311458203 cites W2158946024 @default.
• W4311458203 cites W2258051646 @default.
• W4311458203 cites W2259702573 @default.
• W4311458203 cites W2330316819 @default.
• W4311458203 cites W2588287629 @default.
• W4311458203 cites W273580202 @default.
• W4311458203 cites W2770128561 @default.
• W4311458203 cites W2782064020 @default.
• W4311458203 cites W2793509485 @default.
• W4311458203 cites W2797056425 @default.
• W4311458203 cites W2884631907 @default.
• W4311458203 cites W2910005093 @default.

• next