Correlations between Performance of Organic Solar Cells and Film‐Depth‐Dependent Optical and Electronic Variations
Sign Up to like & getrecommendations! Published in 2019 at "Advanced Optical Materials"
DOI: 10.1002/adom.201900152
Abstract: In donor: acceptor bulk heterojunction organic solar cells, the chemical miscibility between different components and phase evolution dynamics within thin films often induce phase segregation and molecular aggregation/orientation, both of which are film-depth-dependent. This leads… read more here.
Keywords: film depth; optical electronic; performance; film ... See more keywords
Optical and electronic structure description of metal-doped phthalocyanines
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3338-4
Abstract: AbstractPhthalocyanines represent a crucial class of organic compounds with high technological appeal. By doping the center of these systems with metals, one obtains the so-called metal-phthalocyanines, whose property of being an effective electron donor allows… read more here.
Keywords: structure description; electronic structure; optical electronic; description metal ... See more keywords
Structural, Optical, and Electronic Characterization of Fe-Doped Alumina Nanoparticles
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-017-5830-0
Abstract: The effects of iron doping on the structural, optical, and electronic properties of doped alumina have been studied. Single-phase iron-doped alumina Al2−x FexO3 (x = 0.00 to 0.30) nanoparticles were synthesized via citrate-precursor method. Formation of single-phase… read more here.
Keywords: structural optical; characterization doped; optical electronic; electronic characterization ... See more keywords
First-principle analysis of the structural, mechanical, optical and electronic properties of wollastonite monoclinic polymorph
Sign Up to like & getrecommendations! Published in 2018 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2017.12.004
Abstract: Abstract The structural, elastic, optical and electronic behavior of CaSiO3 monoclinic polymorph are estimated utilizing ultrasoft pseudo-potential technique operated in CASTEP code. The calculated lattice parameters, such as lattice constants, angle β, and unit cell… read more here.
Keywords: first principle; principle analysis; optical electronic; casio3 monoclinic ... See more keywords
Optical, electronic, and mechanical properties of p-type conductive oxide BaBiO3: A density functional theory study
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138054
Abstract: Abstract In this paper, we performed the first-principles calculations with DFT to study the optical, electronic, and mechanical properties, as well as the carrier effective mass of cubic BaBiO3, monoclinic BaBiO3, and the two trigonal… read more here.
Keywords: electronic mechanical; mechanical properties; study optical; babio3 ... See more keywords
Ab initio investigation of nonlinear optical, electronic, and thermodynamic properties of BEDT-TTF molecule: doping with boron
Sign Up to like & getrecommendations! Published in 2021 at "Heliyon"
DOI: 10.1016/j.heliyon.2021.e07461
Abstract: In this study, the RHF, B3LYP and wB97XD methods with cc-pVDZ basis set have been used to investigate the influence of carbon atoms substitution with boron atoms on the non-linear optical, electronic, optoelectronic and thermodynamic… read more here.
Keywords: properties bedt; thermodynamic properties; optical electronic; bedt ttf ... See more keywords
A hybrid density functional study of optical and electronic properties of Al\Ga-codoped ZnO
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DOI: 10.1016/j.ijleo.2018.10.135
Abstract: Abstract The energetic, electronic structures and optical properties of Al-, Ga-doped and Al\Ga-codoped ZnO systems with the concentration x = y = 3.125% have been investigated using first-principles calculations. The results show that the Al\Ga-codoped ZnO can be easily… read more here.
Keywords: codoped zno; density functional; optical electronic; functional study ... See more keywords
Optical and electronic properties of (Al Ga1−)2O3/Al2O3 (x>0.4) films grown by magnetron sputtering
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2021.158765
Abstract: Abstract Systematic investigations of the optical and electronic properties are reported for ultrathin (AlxGa1-x)2O3/Al2O3 films with higher Al contents x (> 0.4) prepared by magnetron sputtering method. The X-ray diffraction results revealed the films were… read more here.
Keywords: alxga1 2o3; optical electronic; 2o3 al2o3; electronic properties ... See more keywords
Optical and electronic properties of nickel(II) coordinated to chiral amino-alcohols. An experimental and theoretical study
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.127200
Abstract: Abstract In this work it was investigated the experimental and theoretical properties of chiral acetyl aminoalcohols and their octahedral coordination compounds with nickel(II). Structural relaxation to determine the ground state (GS) were based on their… read more here.
Keywords: nickel coordinated; optical electronic; study; properties nickel ... See more keywords
Strong hydrogen bonding wide bandgap single crystal for optical and electronic applications
Sign Up to like & getrecommendations! Published in 2019 at "Optics and Laser Technology"
DOI: 10.1016/j.optlastec.2019.105710
Abstract: Abstract The present work deals with an investigation on the synthesis, crystal growth and characterization of an organic molecule named, as 3-hydroxyanilinium p-Toluenesulfonate (3HAPTS) for third order nonlinear optical and electronic applications. A high quality… read more here.
Keywords: electronic applications; single crystal; optical electronic; strong hydrogen ... See more keywords
Optical and electronic properties for As-60 at.% S uniform thickness of thin films: Influence of Se content
Sign Up to like & getrecommendations! Published in 2020 at "Optical Materials"
DOI: 10.1016/j.optmat.2020.110257
Abstract: Abstract Thin films of As40S60-xSex ((0 ≤ x ≥ 60) at. %) have been efficiently synthesized through the process of vacuum thermal evaporation. The present framework analyzes the thin films to determine both optical and electronic parameters as a… read more here.
Keywords: thin films; optical electronic; thickness; electronic properties ... See more keywords