Results 71 to 80 of about 71,035 (324)

Self‐Poled Halide Perovskite Ruddlesden‐Popper Ferroelectric‐Photovoltaic Semiconductor Thin Films and Their Energy Harvesting Properties

open access: yesAdvanced Functional Materials, EarlyView.
Low‐dimensional halide perovskite thin films, (BA)2(MA)n‐1PbnBr3n+1 (n = 1, 2), exhibit both semiconducting and ferroelectric properties, enabling mechanical and light energy harvesting. Using Cr/Cr₂O₃ or PCBM as barrier layers ensures reproducible ferroelectricity.
Raja Sekhar Muddam   +8 more
wiley   +1 more source

Turning on Selective H2S Gas Sensing Activity in Ternary Nickel Tungstate Strongly Correlated Electron System Through Sub‐Gap Band Manipulation

open access: yesAdvanced Functional Materials, EarlyView.
A strongly correlated electron system (SCES) exhibits pronounced insulating behavior due to Coulombic repulsion between cations, which generates a charge gap. This study investigates the tuning of the band structure in NiWO4‐based SCES via Cu doping at substitutional sites and Li doping at interstitial sites.
Seung Yong Lee   +18 more
wiley   +1 more source

Interaction-induced dipole moment of the Ar–H\u3csub\u3e2\u3c/sub\u3e dimer: dependence on the H\u3csub\u3e2\u3c/sub\u3e bond length [PDF]

open access: yes, 2006
We present ab initio calculations of the interaction-induced dipole moment of the Ar–H2 van der Waals dimer. The primary focus of our calculations is on the H2 bond length dependence of the dipole moment, which determines the intensities of both the ...
Hinde, Robert J.
core   +1 more source

Spectroelectrochemical Determination of Förster Radii for Triplet‐Polaron Quenching in Phosphorescent Organic Light‐Emitting Diodes

open access: yesAdvanced Functional Materials, EarlyView.
Phosphorescent OLEDs suffer from efficiency roll‐off due to triplet‐polaron quenching (TPQ). This study demonstrates for a large set of host‐guest combinations a spectroelectrochemical method to measure the absorption of charged molecules, enabling determining TPQ Förster radii (2.5–4 nm) from the spectral overlap.
Stan E. A. Jaspars   +5 more
wiley   +1 more source

Physicochemical and Nonlinear Optical Properties of Novel Environmentally Benign Heterocyclic Azomethine Dyes: Experimental and Theoretical Studies. [PDF]

open access: yesPLoS ONE, 2016
Novel heterocyclic azomethine dyes were prepared by the reaction of anthracene-9-carbaldehyde with different heterocyclic amines under microwave irradiation.
S M Afzal   +5 more
doaj   +1 more source

Study of dipole moments of LiSr and KRb molecules by quantum Monte Carlo methods

open access: yes, 2013
Heteronuclear dimers are of significant interest to experiments seeking to exploit ultracold polar molecules in a number of novel ways including precision measurement, quantum computing, and quantum simulation.
Bajdich, Michal   +3 more
core   +1 more source

Using Recycled Materials in a Novel Dual Binder System for Hard Carbon Anodes: Closing the Loop Toward Sustainable Li‐/Na‐ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
The study explores for the first time the use of polyvinyl butyral (PVB), particularly recycled PVB, as a sustainable binder for Li/Na‐based electrodes in the framework of the H2020 SUNRISE EU project. Findings revealed that electrodes bound with a sustainable PAA/PVB mixture demonstrated exceptional rate capability and high initial Coulombic ...
Hamideh Darjazi   +4 more
wiley   +1 more source

Dynamic Networks via Polymerizable Deep Eutectic Monomers for Uniform Li+ Transport at Interfaces in Lithium Metal Batteries

open access: yesAdvanced Functional Materials, EarlyView.
The PDEM‐based SIGPE provides a dynamic nanophase from Li+‐bridged molecular self‐association, enhancing electrochemical stability and facilitating uniform Li+ ion flux at the interface. This unique solvation structure results in a hetero species‐driven inorganic‐rich SEI and long‐term cycle stability, suggesting that a PFAS‐free Li+‐containing monomer
Susung Yun   +5 more
wiley   +1 more source

Molecular Structure of Heterocycles: 6. Solvent Effects on the 17O Nmr Chemical Shifts of 5-Trichloromethylisoxazoles

open access: yesJournal of the Brazilian Chemical Society, 2001
A multilinear-regression analysis using the Kamlet-Abboud-Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the 17O chemical shifts of three 5-trichloromethylisoxazoles [(1a) non-, (1b) 3-methyl- and (1c) 4 ...
Martins Marcos A. P.   +7 more
doaj  

FT-IR, FT-Raman, UV–Visible, NMR, DFT and molecular docking investigation of 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol

open access: yesResults in Chemistry, 2021
1-(Phenyl(piperidin-1-yl)methyl)naphthalene-2-ol was synthesized and characterized utilizing spectroscopic techniques (FT-IR, FT-Raman, UV–Visible, NMR, Mass and CHNS analysis).
P. Rajamani   +4 more
doaj  

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