Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1038/s41563-024-01978-x | DOI Listing |
Nat Mater
October 2024
Department of Physics, Pohang University of Science and Technology, Pohang, Korea.
Environ Res
December 2024
Beijing International Scientific and Technological Cooperation Base of Water Pollution Control Techniques for Antibiotics and Resistance Genes, Beijing Key Laboratory of Aqueous Typical Pollutants Control and Water Quality Safeguard, Schol of Environment, Beijing Jiaotong University, Beijing, 100044, China. Electronic address:
This study investigates the enhancement of ozone adsorption on diverse TiO crystal interfaces through an innovative electrochemical modulation approach. The research focuses on the effects of applied electric field strength and reaction sites on ozone interfacial adsorption energies for Ti/Anatase TiO (0 0 1) and Ti/Rutile TiO (1 1 0) interfaces. The findings reveal that positive electric fields significantly enhance ozone adsorption on both interfaces, with adsorption energies increasing by up to 18% for Ti/Anatase TiO (0 0 1) and 15% for Ti/Rutile TiO (1 1 0).
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2024
Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021 Zarzouna, Tunisia.
In this paper, we undertake a theoretical investigation into the effects of both in-plane and out-of-plane static electric fields on moiré interlayer excitons (IXs) within a WSe/MoSe heterobilayer. We thoroughly analyze a wide range of properties pertaining to the IXs, including the binding energy, Stark shift, orbital hybridization, photoluminescence (PL) spectra, and radiative lifetime. Various factors influencing IX behavior, such as the dielectric environment, spacing separation, and moiré trap effects, are examined in detail.
View Article and Find Full Text PDFJ Mol Model
April 2024
Modeling and Calculation Methods Laboratory, University of Saida - Dr. Moulay Tahar, 20000, Saïda, Algeria.
Context: The present work deals with the linear and nonlinear optical properties such as the dipole moment, polarizability, total hyperpolarizability, electric field-induced second harmonic generation, and hyper-Rayleigh scattering first hyperpolarizability of four heterocyclic azo compounds containing the sulfonamide group considered promise in nonlinear optic. The obtained polarizability and hyperpolarizability were supported by the frontier molecular orbital analysis. The properties have been effectively estimated and thoroughly examined to shed light on the nonlinear optical activity based on the density functional theory.
View Article and Find Full Text PDFEnviron Sci Technol
January 2024
College of Environmental Science and Engineering, Nankai University, Tianjin 300350, China.
Development of electrode materials exhibiting exceptional phosphate removal performance represents a promising strategy to mitigate eutrophication and meet ever-stricter stringent emission standards. Herein, we precisely designed a novel LaCeO heterostructure-decorated hierarchical carbon composite (L8C2PC) for high-efficiency phosphate electrosorption. This approach establishes an internal electric field within the LaCeO heterostructure, where the electrons transfer from Ce atoms to neighboring La atoms through superexchange interactions in La-O-Ce coordination units.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!