Results 101 to 110 of about 71,035 (324)

Spin twists, domain walls, and the cluster spin-glass phase of weakly doped cuprates

open access: yes, 2000
We examine the role of spin twists in the formation of domain walls, often called stripes, by focusing on the spin textures found in the cluster spin glass phases of LaSrCuO and YCaBaCuO.
Beach, K.S.D.   +2 more
core   +1 more source

Illuminating the Origins of Ferroelectric‐Induced Photocurrent and Hole Lifetime Enhancement in BaTiO3 Photoanodes

open access: yesAdvanced Functional Materials, EarlyView.
The use of ferroelectric polarization to enhance photocatalytic and photoelectrocatalytic activity is an innovative, and increasingly studied route to improve the spatial separation of charge carriers and therefore enhance catalytic efficiency. These results demonstrate how the intrinsic properties of a ferroelectric film can extend charge carrier ...
Chloe Forrester   +5 more
wiley   +1 more source

Efficient Hole Injection From Indium Tin Oxide in Quantum‐Dot Light‐Emitting Diodes

open access: yesAdvanced Functional Materials, EarlyView.
The realization of QLEDs‐based displays remains challenging due to the acidic surface from PEDOT:PSS. Here, an analysis is conducted by examining the degradation mechanism of PEDOT:PSS. By replacing PEDOT:PSS with 2BrCzPA, the formation of strong dipoles at the ITO/2BrCzPA SAM interfaces exhibits excellent hole injection abilities.
PeiLi Gao   +9 more
wiley   +1 more source

Theoretical investigation, solvation effect, topology, NCI and molecular docking studies on potential Pemigatinib

open access: yesChemical Physics Impact, 2023
The titled compound TA structure was optimized in B3LYP/cc-pVDZ basis set using Gaussian software. In natural bond orbital analysis the highest stabilization energy is 82.3 kcal/mol, which is confirmed by LP(1)-C19 to antibonding π*(C13-C14).
T. Kaviya   +7 more
doaj  

Electrodynamics of Amorphous Media at Low Temperatures

open access: yes, 2005
Amorphous solids exhibit intrinsic, local structural transitions, that give rise to the well known quantum-mechanical two-level systems at low temperatures.
Doussineau P   +6 more
core   +1 more source

Green Solvent Enabled Perovskite Ink for Ambient‐Air‐Processed Efficient Inkjet‐Printed Perovskite Solar Cells

open access: yesAdvanced Functional Materials, EarlyView.
This study explores an eco‐friendly solvent with 1,3‐dimethyl‐2‐imidazolidinone for developing perovskite ink, enhancing grain size and formation of purer phase perovskite. The inkjet‐printed perovskite solar cells demonstrated a remarkable improvement in device power conversion efficiency from 14.6% to almost 17.8%, highlighting sustainable innovation
Vinayak Vitthal Satale   +6 more
wiley   +1 more source

Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment

open access: yesChemical Physics Impact, 2022
This research aims to synthesize four compounds (CMP1, CMP2, CMP3 and CMP4) and determine their suitability for the formulation of the drugs for the treatment of sleeping sickness caused by Trypanosoma cruzi, a vector-borne parasitic disease, commonly ...
Ernest C. Agwamba   +8 more
doaj  

Initial Study of the Effect of Substrates on Tetrahydrozoline and its Nano-Constituent Drugs

open access: yesInternational Journal of New Chemistry, 2016
In this paper, the effect of halogen compounds on tetrahedrozoline with nanosized fullerene was investigated. First, the structures of Tetrahydrozoline on a fully vectorized nanoclay were optimized with halogen compounds on carbon 69 (R-X: X = F, Cl, Br;
Mohammad Amin Gholipour
doaj   +1 more source

Polarization and Charge Transfer in the Hydration of Chloride Ions

open access: yes, 2009
A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented.
Bader R. F. W.   +7 more
core   +1 more source

Microwave Spectrum, Intramolecular Hydrogen Bond, Dipole Moment and Centrifugal Distortion of 2-Fluoropropanol. [PDF]

open access: bronze, 1982
Ole-Anders Braathen   +10 more
openalex   +1 more source

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