Turnitin
降AI改写
早检测系统
早降重系统
Turnitin-UK版
万方检测-期刊版
维普编辑部版
Grammarly检测
Paperpass检测
checkpass检测
PaperYY检测
The photoreaction of TiO2 and Au/TiO2 single crystal and powder surfaces with organic adsorbates. Emphasis on hydrogen production from renewables
KA Connelly, H Idriss - Green Chemistry, 2012 - pubs.rsc.org
TiO2 and TiO2-based materials are prototypes for photo-catalytic reactions as they have
been shown for many decades to be active for total oxidation of hydrocarbons to clean the …
been shown for many decades to be active for total oxidation of hydrocarbons to clean the …
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description
We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT)
to describe vertical low-energy excitations in naked and hydrated titanium dioxide …
to describe vertical low-energy excitations in naked and hydrated titanium dioxide …
Detection and correction of delocalization errors for electron and hole polarons using density-corrected DFT
Modeling polaron defects is an important aspect of computational materials science, but the
description of unpaired spins in density functional theory (DFT) often suffers from …
description of unpaired spins in density functional theory (DFT) often suffers from …
Photoreaction of ethanol on Au/TiO2 anatase: comparing the micro to nanoparticle size activities of the support for hydrogen production
The work presents the dark and photocatalytic reactions of ethanol over Au particles
deposited on TiO2 anatase nano (≤ 10nm) and micro (ca. 0.15 μm) particle catalysts. The …
deposited on TiO2 anatase nano (≤ 10nm) and micro (ca. 0.15 μm) particle catalysts. The …
Surface-enhanced Raman scattering on semiconducting oxide nanoparticles: oxide nature, size, solvent, and pH effects
Semiconducting oxide nanoparticles have proven to be excellent in detecting extremely low-
concentrations of molecules through surface-enhanced Raman scattering (SERS) effects …
concentrations of molecules through surface-enhanced Raman scattering (SERS) effects …
Modeling the Water Splitting Activity of a TiO2 Rutile Nanoparticle
We explore, from a theoretical perspective, the effect of particle size on the photocatalytic
water splitting activity of TiO2 rutile (nano) particles by a combination of explicit quantum …
water splitting activity of TiO2 rutile (nano) particles by a combination of explicit quantum …
Realistic Cluster Modeling of Electron Transport and Trap** in Solvated TiO2 Nanoparticles
J Zhang, TF Hughes, M Steigerwald… - Journal of the …, 2012 - ACS Publications
We have developed a cluster model of a TiO2 nanoparticle in the dye-sensitized solar cell
and used first-principles quantum chemistry, coupled with a continuum solvation model, to …
and used first-principles quantum chemistry, coupled with a continuum solvation model, to …
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
We have investigated the description of excited state relaxation in naked and hydrated TiO2
nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three …
nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three …
Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations
We study the vertical and adiabatic ionization potentials and electron affinities of bare and
hydroxylated TiO2 nanoclusters, as well as their fundamental gap and exciton binding …
hydroxylated TiO2 nanoclusters, as well as their fundamental gap and exciton binding …
Molecule-induced gradient electronic potential distribution on a polymeric photocatalyst surface and improved photocatalytic performance
A polymeric photocatalyst was synthesized by coupling p-nitrobenzoic acid (PNA) onto
graphitic carbon nitride (g-C3N4). The as-synthesized polymeric photocatalyst (PNA–g …
graphitic carbon nitride (g-C3N4). The as-synthesized polymeric photocatalyst (PNA–g …