Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI.

ABSTRACT: Bismuth-based solar absorbers have recently garnered attention due to their promise as cheap, nontoxic, and efficient photovoltaics. To date, however, most show poor efficiencies far below those seen in commercial technologies. In this work, we investigate two such promising materials, BiSI and BiSeI, using relativistic first-principles methods with the aim of identifying their suitability for photovoltaic applications. Both compounds show excellent optoelectronic properties with ideal band gaps and strong optical absorption, leading to high predicted device performance. Using defect analysis, we reveal the electronic and structural effects that can lead to the presence of deep trap states, which may help explain the prior poor performance of these materials. Crucially, detailed mapping of the range of experimentally accessible synthesis conditions allows us to provide strategies to avoid the formation of killer defects in the future.

SUBMITTER: Ganose AM

PROVIDER: S-EPMC6000811 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI.

Ganose Alex M AM Matsumoto Saya S Buckeridge John J Scanlon David O DO

Chemistry of materials : a publication of the American Chemical Society 20180514 11

Bismuth-based solar absorbers have recently garnered attention due to their promise as cheap, nontoxic, and efficient photovoltaics. To date, however, most show poor efficiencies far below those seen in commercial technologies. In this work, we investigate two such promising materials, BiSI and BiSeI, using relativistic first-principles methods with the aim of identifying their suitability for photovoltaic applications. Both compounds show excellent optoelectronic properties with ideal band gaps ...[more]

PMID: 29910535

Similar Datasets

Earth-Abundant Tin Sulfide-Based Photocathodes for Solar Hydrogen Production.

Project description:Tin-based chalcogenide semiconductors, though attractive materials for photovoltaics, have to date exhibited poor performance and stability for photoelectrochemical applications. Here, a novel strategy is reported to improve performance and stability of tin monosulfide (SnS) nanoplatelet thin films for H2 production in acidic media without any use of sacrificial reagent. P-type SnS nanoplatelet films are coated with the n-CdS buffer layer and the TiO2 passivation layer to form type II heterojunction photocathodes. These photocathodes with subsequent deposition of Pt nanoparticles generate a photovoltage of 300 mV and a photocurrent density of 2.4 mA cm-2 at 0 V versus reversible hydrogen electrode (RHE) for water splitting under simulated visible-light illumination (? > 500 nm, Pin = 80 mW cm-2). The incident photon-to-current efficiency at 0 V versus RHE for H2 production reach a maximum of 12.7% at 575 nm with internal quantum efficiency of 13.8%. The faradaic efficiency for hydrogen evolution remains close to unity after 6000 s of illumination, confirming the robustness of the heterojunction for solar H2 production.

| S-EPMC5770675 | biostudies-literature

Solar-driven CO<sub>2</sub> reduction using modified earth-abundant ilmenite catalysts.

Project description:Photocatalytic CO2 reduction is an alternative technology to the depletion of highly pollutant fossil fuels through the generation of renewable solar-based fuels. This technology requires that the photocatalysts be obtained directly from nature to scale up the process. Taking that into consideration, this work proposed the fabrication of sodium iron titanate (NaFeTiO4) photocatalysts from earth-abundant ilmenite mineral. The photocatalysts exhibited full spectrum light response, good electron transfer due to its unique tunnel structure that favored the formation of rod-like morphology. These properties promoted the solar-driven CO2 reduction to generate formic acid (HCOOH) with high selectivity (157 μmol g-1 h-1). It was found that higher synthesis temperatures promoted the formation of Fe3+ species, which decreased the efficiency for CO2 reduction. Also, the possibility of reduced the CO2 molecules in the air was studied with the NaFeTiO4 samples, which resulted in an efficiency of up to 93 μmol g-1 h-1 of HCOOH under visible light. The stability of the solar-driven CO2 reduction with the NaFeTiO4 photocatalysts was confirmed after seven days of continuous evaluation.

| S-EPMC10320172 | biostudies-literature

Towards defect-free thin films of the earth-abundant absorber zinc phosphide by nanopatterning.

Project description:Large-scale deployment of thin-film photovoltaics will be facilitated through earth-abundant components. Herein, selective area epitaxy and lateral overgrowth epitaxy are explored for the growth of zinc phosphide (Zn3P2), a promising earth-abundant absorber. The ideal growth conditions are elucidated, and the nucleation of single-crystal nanopyramids that subsequently evolve towards coalesced thin-films is demonstrated. The zinc phosphide pyramids exhibit room temperature bandgap luminescence at 1.53 eV, indicating a high-quality material. The electrical properties of zinc phosphide and the junction with the substrate are assessed by conductive atomic force microscopy on n-type, p-type and intrinsic substrates. The measurements are consistent with the p-type characteristic of zinc phosphide. Overall, this constitutes a new, and transferrable, approach for the controlled and tunable growth of high-quality zinc phosphide, a step forward in the quest for earth-abundant photovoltaics.

| S-EPMC9418067 | biostudies-literature

Conduction-band effective mass and bandgap of ZnSnN<sub>2</sub> earth-abundant solar absorber.

Project description:Pseudo III-V nitride ZnSnN2 is an earth-abundant semiconductor with a high optical absorption coefficient in the solar spectrum. Its bandgap can be tuned by controlling the cation sublattice disorder. Thus, it is a potential candidate for photovoltaic absorber materials. However, its important basic properties such as the intrinsic bandgap and effective mass have not yet been quantitatively determined. This paper presents a detailed optical absorption analysis of disordered ZnSnN2 degenerately doped with oxygen (ZnSnN2-x O x ) in the ultraviolet to infrared region to determine the conduction-band effective mass (m c*) and intrinsic bandgap (E g). ZnSnN2-x O x epilayers are n-type degenerate semiconductors, which exhibit clear free-electron absorption in the infrared region. By analysing the free-electron absorption using the Drude model, m c* was determined to be (0.37 ± 0.05)m 0 (m 0 denotes the free electron mass). The fundamental absorption edge in the visible to ultraviolet region shows a blue shift with increasing electron density. The analysis of the blue shift in the framework of the Burstein-Moss effect gives the E g value of 0.94 ± 0.02 eV. We believe that the findings of this study will provide important information to establish this material as a photovoltaic absorber.

| S-EPMC5678229 | biostudies-literature

Surface engineering of earth-abundant Fe catalysts for selective hydrodeoxygenation of phenolics in liquid phase.

Project description:Development of inexpensive sulfur-free catalysts for selective hydrogenolysis of the C-O bond in phenolics (i.e., selective removal of oxygen without aromatic ring saturation) under liquid-phase conditions is highly challenging. Here, we report an efficient approach to engineer earth-abundant Fe catalysts with a graphene overlayer and alkali metal (i.e., Cs), which produces arenes with 100% selectivity from liquid-phase hydrodeoxygenation (HDO) of phenolics with high durability. In particular, we report that a thin (a few layers) surface graphene overlayer can be engineered on metallic Fe particles (G@Fe) by a controlled surface reaction of a carbonaceous compound, which prevents the iron surface from oxidation by hydroxyls or water produced during HDO reaction. More importantly, further tailoring the surface electronic properties of G@Fe with the addition of cesium, creating a Cs-G@Fe composite catalyst in contrast to a deactivated Cs@Fe one, promotes the selective C-O bond cleavage by inhibiting the tautomerization, a pathway that is very facile under liquid-phase conditions. The current study could open a general approach to rational design of highly efficient catalysts for HDO of phenolics.

| S-EPMC7448371 | biostudies-literature

Ultrastrong Exciton-Photon Coupling in Broadband Solar Absorbers.

Project description:The recent development of organic polaritonic solar cells, in which sunlight absorbers and photon modes of a resonator are hybridized as a result of their strong coupling, has revealed the potential this interaction offers to control and enhance the performance of these devices. In this approach, the photovoltaic cell is built in such a way that it also behaves as an optical cavity supporting spectrally well-defined resonances, which match the broad absorption bands of the dyes employed. Herein we focus on the experimental and theoretical analysis of the specific spectral and angular optical absorption characteristics of a broadband light harvester, namely a subphthalocyanine, when operating in the ultrastrong coupling regime. We discuss the implications of having a broad distribution of oscillator strengths and demonstrate that rational design of the layered structure is needed to optimize both the spectral and the angular response of the sunlight harvester dye.

| S-EPMC8573775 | biostudies-literature

Nanoporous Titanium (Oxy)nitride Films as Broadband Solar Absorbers.

Project description:Broadband absorption of solar light is a key aspect in many applications that involve an efficient conversion of solar energy to heat. Titanium nitride (TiN)-based materials, in the form of periodic arrays of nanostructures or multilayers, can promote significant heat generation upon illumination thanks to their efficient light absorption and refractory character. In this work, pulsed laser deposition was chosen as a synthesis technique to shift metallic bulk-like TiN to nanoparticle-assembled hierarchical oxynitride (TiOxNy) films by increasing the background gas deposition pressure. The nanoporous hierarchical films exhibit a tree-like morphology, a strong broadband solar absorption (∼90% from the UV to the near-infrared range), and could generate temperatures of ∼475 °C under moderate light concentration (17 Suns). The high heat generation achieved by treelike films is ascribed to their porous morphology, nanocrystalline structure, and oxynitride composition, which overall contribute to a superior light trapping and dissipation to heat. These properties pave the way for the implementation of such films as solar absorber structures.

| S-EPMC9052191 | biostudies-literature

Earth Abundant Element Type I Clathrate Phases.

Project description:Earth abundant element clathrate phases are of interest for a number of applications ranging from photovoltaics to thermoelectrics. Silicon-containing type I clathrate is a framework structure with the stoichiometry A8-xSi46 (A = guest atom such as alkali metal) that can be tuned by alloying and doping with other elements. The type I clathrate framework can be described as being composed of two types of polyhedral cages made up of tetrahedrally coordinated Si: pentagonal dodecahedra with 20 atoms and tetrakaidecahedra with 24 atoms in the ratio of 2:6. The cation sites, A, are found in the center of each polyhedral cage. This review focuses on the newest discoveries in the group 13-silicon type I clathrate family: A₈E₈Si38 (A = alkali metal; E = Al, Ga) and their properties. Possible approaches to new phases based on earth abundant elements and their potential applications will be discussed.

| S-EPMC5457097 | biostudies-other

Regulating thermochemical redox temperature via oxygen defect engineering for protection of solar molten salt receivers.

Project description:An active coating based on thermochemical redox reactions is proposed to protect molten salt receivers from solar flux fluctuation. However, appropriate metal oxides working in the temperature range of 530 and 850°C are still missing. Herein, we put forward an oxygen defect engineering strategy to regulate the thermochemical redox temperatures of perovskites. A tunable temperature range of 426-702°C is obtained by BaCo1-x Mn x O3-δ (x = 0-0.4). It is found that a raised redox temperature can be obtained with the increase of the oxygen vacancy formation energy. For application, BaCo0.8Mn0.2O3-δ is designed as the active protective coating of a lab-scale receiver, which has a thermal capacity of 82.95 kJ kg-1. The smart coating can slow down the temperature rising rate from 8.5°C min-1 to 3°C min-1 in the first 2 min under strong solar radiation, effectively relieving the thermal shock of the receiver.

| S-EPMC8449243 | biostudies-literature

Broadband Solar Metamaterial Absorbers Empowered by Transformer-Based Deep Learning.

Project description:The research of metamaterial shows great potential in the field of solar energy harvesting. In the past decade, the design of broadband solar metamaterial absorber (SMA) has attracted a surge of interest. The conventional design typically requires brute-force optimizations with a huge sampling space of structure parameters. Very recently, deep learning (DL) has provided a promising way in metamaterial design, but its application on SMA development is barely reported due to the complicated features of broadband spectrum. Here, this work develops the DL model based on metamaterial spectrum transformer (MST) for the powerful design of high-performance SMAs. The MST divides the optical spectrum of metamaterial into N patches, which overcomes the severe problem of overfitting in traditional DL and boosts the learning capability significantly. A flexible design tool based on free customer definition is developed to facilitate the real-time on-demand design of metamaterials with various optical functions. The scheme is applied to the design and fabrication of SMAs with graded-refractive-index nanostructures. They demonstrate the high average absorptance of 94% in a broad solar spectrum and exhibit exceptional advantages over many state-of-the-art counterparts. The outdoor testing implies the high-efficiency energy collection of about 1061 kW h m-2 from solar radiation annually. This work paves a way for the rapid smart design of SMA, and will also provide a real-time developing tool for many other metamaterials and metadevices.

| S-EPMC10161039 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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