Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hydrogen production by tuning the photonic band gap with the electronic band gap of TiO?.

ABSTRACT: Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability.

SUBMITTER: Waterhouse GI

PROVIDER: S-EPMC3794377 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hydrogen production by tuning the photonic band gap with the electronic band gap of TiO₂.

Waterhouse G I N GI Wahab A K AK Al-Oufi M M Jovic V V Anjum D H DH Sun-Waterhouse D D Llorca J J Idriss H H

Scientific reports 20131010

Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity i ...[more]

PMID: 24108361

Similar Datasets

Unfolding the band structure of non-crystalline photonic band gap materials.

Project description:Non-crystalline photonic band gap (PBG) materials have received increasing attention, and sizeable PBGs have been reported in quasi-crystalline structures and, more recently, in disordered structures. Band structure calculations for periodic structures produce accurate dispersion relations, which determine group velocities, dispersion, density of states and iso-frequency surfaces, and are used to predict a wide-range of optical phenomena including light propagation, excited-state decay rates, temporal broadening or compression of ultrashort pulses and complex refraction phenomena. However, band calculations for non-periodic structures employ large super-cells of hundreds to thousands building blocks, and provide little useful information other than the PBG central frequency and width. Using stereolithography, we construct cm-scale disordered PBG materials and perform microwave transmission measurements, as well as finite-difference time-domain (FDTD) simulations. The photonic dispersion relations are reconstructed from the measured and simulated phase data. Our results demonstrate the existence of sizeable PBGs in these disordered structures and provide detailed information of the effective band diagrams, dispersion relation, iso-frequency contours, and their angular dependence. Slow light phenomena are also observed in these structures near gap frequencies. This study introduces a powerful tool to investigate photonic properties of non-crystalline structures and provides important effective dispersion information, otherwise difficult to obtain.

| S-EPMC4542607 | biostudies-literature

Multi Band Gap Electronic Structure in CH3NH3PbI3.

Project description:Organo-lead halide perovskite solar cells represent a revolutionary shift in solar photovoltaics, introducing relatively soft defect containing semiconductors as materials with excellent charge collection for both electrons and holes. Although they are based on the nominally simple cubic perovskite structure, these compounds are in fact very complex. For example, in (CH3NH3)PbI3 the dynamics and ensuing structural fluctuations associated with the (CH3NH3)+ ions and the interplay with the electronic properties are still not fully understood, despite extensive study. Here, using ab-initio calculations, we show that at room and higher temperature, the rotation of CH3NH3 molecules can be viewed as effectively giving local structures that are cubic and tetragonal like from the point of view of the PbI3 framework, though in fact having lower symmetry. Both of these structures are locally polar, with sizable polarization, ~10 ?C/cm2 due to the dipoles on the organic. They become energetically degenerate in the volume range, V ~ 250 Å3/f.u-265 Å3/f.u. We also find very significant dependence of the band gap on the local structure. This type of transition is analogous to a transition between two ferroelectric structures, where in-spite of strong electron phonon coupling, there is strong screening of charged defects which can lead to enhanced mobility and charge collection. The results provide insights into the enhanced light absorption near the band edge and good charge collection in this material.

| S-EPMC6376135 | biostudies-literature

Foam as a self-assembling amorphous photonic band gap material.

Project description:We show that slightly polydisperse disordered 2D foams can be used as a self-assembled template for isotropic photonic band gap (PBG) materials for transverse electric (TE) polarization. Calculations based on in-house experimental and simulated foam structures demonstrate that, at sufficient refractive index contrast, a dry foam organization with threefold nodes and long slender Plateau borders is especially advantageous to open a large PBG. A transition from dry to wet foam structure rapidly closes the PBG mainly by formation of bigger fourfold nodes, filling the PBG with defect modes. By tuning the foam area fraction, we find an optimal quantity of dielectric material, which maximizes the PBG in experimental systems. The obtained results have a potential to be extended to 3D foams to produce a next generation of self-assembled disordered PBG materials, enabling fabrication of cheap and scalable photonic devices.

| S-EPMC6511009 | biostudies-literature

Tough and Variable-Band-Gap Photonic Hydrogel Displaying Programmable Angle-Dependent Colors.

Project description:One-dimensional photonic crystals or multilayer films produce colors that change depending on viewing and light illumination angles because of the periodic refractive index variation in alternating layers that satisfy Bragg's law. Recently, we have developed multilayered photonic hydrogels of two distinct bulk geometries that possess an alternating structure of a rigid polymeric lamellar bilayer and a ductile polyacrylamide (PAAm) matrix. In this paper, we focus on fabrication of composite gels with variable photonic band gaps by controlling the PAAm layer thickness. We report programmable angle-dependent and angle-independent structural colors produced by composite hydrogels, which is achieved by varying bulk and internal geometries. In the sheet geometry, where the lamellae are aligned parallel to the sheet surface, the photonic gel sheet exhibits strong angle-dependent colors. On the other hand, when lamellae are coaxially aligned in a cylindrical geometry, the gel rod exhibits an angle-independent color, in sharp contrast with the gel sheet. Rocking curves have been constructed to justify the diverse angle-dependent behavior of various geometries. Despite varying the bulk geometry, the tunable photonic gels exhibit strong mechanical performances and toughness. The distinct angle dependence of these tough photonic materials with variable band gaps could benefit light modulation in displays and sensor technologies.

| S-EPMC6641405 | biostudies-literature

Titania Photonic Crystals with Precise Photonic Band Gap Position via Anodizing with Voltage versus Optical Path Length Modulation.

Project description:Photonic crystals based on titanium oxide are promising for optoelectronic applications, for example as components of solar cells and photodetectors. These materials attract great research attention because of the high refractive index of TiO2. One of the promising routes to prepare photonic crystals based on titanium oxide is titanium anodizing at periodically changing voltage or current. However, precise control of the photonic band gap position in anodic titania films is a challenge. To solve this problem, systematic data on the effective refractive index of the porous anodic titanium oxide are required. In this research, we determine quantitatively the dependence of the effective refractive index of porous anodic titanium oxide on the anodizing regime and develop a model which allows one to predict and, therefore, control photonic band gap position in the visible spectrum range with an accuracy better than 98.5%. The prospects of anodic titania photonic crystals implementation as refractive index sensors are demonstrated.

| S-EPMC6523195 | biostudies-literature

Electronic Band Structure and Sub-band-gap Absorption of Nitrogen Hyperdoped Silicon.

Project description:We investigated the atomic geometry, electronic band structure, and optical absorption of nitrogen hyperdoped silicon based on first-principles calculations. The results show that all the paired nitrogen defects we studied do not introduce intermediate band, while most of single nitrogen defects can introduce intermediate band in the gap. Considering the stability of the single defects and the rapid resolidification following the laser melting process in our sample preparation method, we conclude that the substitutional nitrogen defect, whose fraction was tiny and could be neglected before, should have considerable fraction in the hyperdoped silicon and results in the visible sub-band-gap absorption as observed in the experiment. Furthermore, our calculations show that the substitutional nitrogen defect has good stability, which could be one of the reasons why the sub-band-gap absorptance remains almost unchanged after annealing.

| S-EPMC4444955 | biostudies-other

Band Gap Tuning in 2D Layered Materials by Angular Rotation.

Project description:We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed.

| S-EPMC5459197 | biostudies-other

Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths.

Project description:The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 ?m was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 ?m. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 ?m.

| S-EPMC4643244 | biostudies-literature

Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids.

Project description:Nowadays pseudopotential (PP) density functional theory calculations constitute the standard approach to tackle solid-state electronic problems. These rely on distributed PP tables that were built from all-electron atomic calculations using few popular semilocal exchange-correlation functionals, while PPs based on more modern functionals, such as meta-generalized gradient approximation and hybrid functionals, or for many-body methods, such as GW, are often not available. Because of this, employing PPs created with inconsistent exchange-correlation functionals has become a common practice. Our aim is to quantify systematically the error in the determination of the electronic band gap when cross-functional PP calculations are performed. To this end, we compare band gaps obtained with norm-conserving PPs or the projector-augmented wave method with all-electron calculations for a large data set of 473 solids. We focus, in particular, on density functionals that were designed specifically for band gap calculations. On average, the absolute error is about 0.1 eV, yielding absolute relative errors in the 5-10% range. Considering that typical errors stemming from the choice of the functional are usually larger, we conclude that the effect of choosing an inconsistent PP is rather harmless for most applications. However, we find specific cases where absolute errors can be larger than 1 eV or others where relative errors can amount to a large fraction of the band gap.

| S-EPMC7288669 | biostudies-literature

Electronic Structure and d-Band Center Control Engineering over Ni-Doped CoP3 Nanowall Arrays for Boosting Hydrogen Production.

Project description:To address the challenge of highly efficient water splitting into H2, successful fabrication of novel porous three-dimensional Ni-doped CoP3 nanowall arrays on carbon cloth was realized, resulting in an effective self-supported electrode for the electrocatalytic hydrogen-evolution reaction. The synthesized samples exhibit rough, curly, and porous structures, which are beneficial for gaseous transfer and diffusion during the electrocatalytic process. As expected, the obtained Ni-doped CoP3 nanowall arrays with a doping concentration of 7% exhibit the promoted electrocatalytic activity. The achieved overpotentials of 176 mV for the hydrogen-evolution reaction afford a current density of 100 mA cm-2, which indicates that electrocatalytic performance can be dramatically enhanced via Ni doping. The Ni-doped CoP3 electrocatalysts with increasing catalytic activity should have significant potential in the field of water splitting into H2. This study also opens an avenue for further enhancement of electrocatalytic performance through tuning of electronic structure and d-band center by doping.

| S-EPMC8233895 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data