Systematic Control of Monoclinic CdWO4 Nanophase for Optimum Photocatalytic Activity
W Tong, L Li, W Hu, T Yan, G Li - The Journal of Physical …, 2010 - ACS Publications
CdWO4 nanocrystals with controlled particle size and crystallinity were successfully
synthesized via a simple hydrothermal method using citric acid as the cap** agent. By …
synthesized via a simple hydrothermal method using citric acid as the cap** agent. By …
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 …
TD-DFT and TD-DFTB investigation of the optical properties and electronic structure of silver nanorods and nanorod dimers
Here, we perform theoretical investigation using time-dependent density functional theory
(TD-DFT) and time-dependent density functional tight binding (TD-DFTB) for the electronic …
(TD-DFT) and time-dependent density functional tight binding (TD-DFTB) for the electronic …
Probing phonons in nonpolar semiconducting nanowires with Raman spectroscopy
KW Adu, MD Williams, M Reber… - Journal of …, 2012 - Wiley Online Library
We present recent developments in Raman probe of confined optical and acoustic phonons
in nonpolar semiconducting nanowires, with emphasis on Si and Ge. First, a review of the …
in nonpolar semiconducting nanowires, with emphasis on Si and Ge. First, a review of the …
Optical excitation of MgO nanoparticles; a computational perspective
MCC Wobbe, A Kerridge… - Physical Chemistry …, 2014 - pubs.rsc.org
The optical absorption spectra of magnesium oxide (MgO) nanoparticles, along with the
atomic centres responsible, are studied using a combination of time-dependent density …
atomic centres responsible, are studied using a combination of time-dependent density …
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 …
Metastable monoclinic ZnMoO4: hydrothermal synthesis, optical properties and photocatalytic performance
L Lv, W Tong, Y Zhang, Y Su… - Journal of Nanoscience …, 2011 - ingentaconnect.com
Metastable monoclinic ZnMoO4 was successfully synthesized via a hydrothermal route with
variation of reaction temperatures and time at pH value of 5.7. Systematic sample …
variation of reaction temperatures and time at pH value of 5.7. Systematic sample …
Excited state properties of Si quantum dots
Silicon is the cornerstone of the semiconductor industry. In the nanoscale, the surface gains
considerable significance due to the large surface to volume ratio. Recent theoretical …
considerable significance due to the large surface to volume ratio. Recent theoretical …
Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS
MA Zwijnenburg - Nanoscale, 2012 - pubs.rsc.org
We discuss how an approach that combines global optimisation and time-dependent density
functional theory (TD-DFT) calculations allows one to predict the photoluminescence (PL) …
functional theory (TD-DFT) calculations allows one to predict the photoluminescence (PL) …