Results 51 to 60 of about 112,673 (326)
Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO$_2$
, 2017 Oxygen-deficient TiO$_2$ in the rutile structure as well as the Ti$_3$O$_5$ Magn{\'e}li phase is investigated within the charge self-consistent combination of density functional theory (DFT) with dynamical mean-field theory (DMFT).
Heckel, Wolfgang +3 more
core +1 more source
Crystals, 2022 Profound understanding of the local electronic and defect structure in semiconductors always plays a vital role in the further developing of applications of such materials.
Dmitry V. Zyabkin +4 more
doaj +1 more source
Effect of flow resistance in open rectangular channel [PDF]
, 2016 The determination of flow resistance for open channels remains a challenge in practices. In this research, an experimental study was carried out to investigate the hydraulic roughness characteristics in an open channel.
Dini Mardhiyani, Dini Mardhiyani +5 more
core +3 more sources
Molecules, 2015 We present a comparative density functional tight binding study of an organic molecule attachment to TiO2 via a carboxylic group, with the example of acetic acid.
Sergei Manzhos +2 more
doaj +1 more source
Tunable high-index photonic glasses [PDF]
, 2019 Materials with extreme photonic properties such as maximum diffuse reflectance, high albedo, or tunable band gaps are essential in many current and future photonic devices and coatings.
Aegerter, Christof M. +6 more
core +1 more source
Atomic Size Misfit for Electrocatalytic Small Molecule Activation
Advanced Functional Materials, EarlyView.This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong +3 more
wiley +1 more source
Consequences of anisotropy in electrical charge storage: application to the characterization by the mirror method of TiO2 rutile [PDF]
, 2008 This article is devoted first to anisotropic distributions of stored electric charges in isotropic materials, second to charge trapping and induced electrostatic potential in anisotropic dielectrics.
Attard C Bigarré J Hourquebie P +7 more
core +4 more sources
Nature Communications, 2015 Titanium dioxide is a promising photocatalyst for water splitting, but it suffers from low visible light activity due to its wide band gap. Doping can narrow the band gap of titanium dioxide; however, new charge-carrier recombination centres may be ...
Landong Li +6 more
semanticscholar +1 more source
Advanced Functional Materials, EarlyView.Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida +16 more
wiley +1 more source
Kinetic Model for Nanocrystalline Anatase to Rutile Polymorphic Transformation [PDF]
Chemical and Biochemical Engineering Quarterly, 2017 In this paper, kinetic models are presented for phase transformation from anatase to rutile in nanocrystalline samples at different temperature ranges.
R. Shakibania
doaj +1 more source