scholarly journals Telluride Te2I: Electronic properties of one-dimensional atomic chains structure

2021 ◽  
Vol 236 ◽  
pp. 01028
Author(s):  
Biaohua Wei ◽  
Xu Han
Keyword(s):  
Band Gap ◽  
Electronic Conductivity ◽  
Chain Structure ◽  
Ultraviolet Region ◽  
Atomic Chain ◽  
Strong Light ◽  
One Dimensional ◽  
Atomic Chains ◽  
Indirect Band Gap ◽  
Low Dimensional

Semiconductor tellurium is an excellent performance material, tellurium and its compounds have been extensive researched in the low-dimensional field. Inspired by the synthesis of a one-dimensional tellurium atomic chains, we predict a new one-dimensional Te2I single-atomic chain structure based on firstprinciples. Using first-principles calculations, Te2I single-atomic chain has an exfoliated energy of 137.95 meV, suggesting that the exfoliation of atomic chains materials from the bulk phase could be feasible. The single-atomic chain structure is an indirect band gap semiconductor with a band gap of 1.51 eV. In addition, its dynamic and thermodynamic properties indicate that the structure is stable at room temperature. Remarkably, it exhibits good electronic conductivity and a large difference in electron and hole mobilities, indicating that it is favorable for the migration and separation of photogenerated carriers. The absorption spectrum of one-dimensional Te2I single-atomic chain exhibits a strong light-harvesting ability in the ultraviolet region, suggesting its potential application in optoelectronic devices

scholarly journals Atomic-scale one-dimensional materials identified from graph theory

2021 ◽  
Author(s):  
Shunning Li ◽  
Zhefeng Chen ◽  
Zhi Wang ◽  
Mouyi Weng ◽  
Jianyuan Li ◽  
...  
Keyword(s):  
Graph Theory ◽  
Structural Information ◽  
Functional Materials ◽  
Atomic Scale ◽  
Computational Techniques ◽  
Electronic Band ◽  
One Dimensional ◽  
Atomic Chains ◽  
Future Data ◽  
Low Dimensional

Abstract The past decades have witnessed an exponential growth in the discovery of functional materials, benefited from our unprecedented capabilities in characterizing their structure, chemistry, and morphology with the aid of advanced imaging, spectroscopic and computational techniques. Among these materials, atomic-scale low-dimensional compounds, as represented by the two-dimensional (2D) atomic layers, one-dimensional (1D) atomic chains and zero-dimensional (0D) atomic clusters, have long captivated scientific interest due to their unique topological motifs and exceptional properties. Their tremendous potentials in various applications make it a pressing urgency to establish a complete database of their structural information, especially for the underexplored 1D species. Here we apply graph theory in combination with first-principles high-throughput calculations to identify atomic-scale 1D materials that can be conceptually isolated from their parent bulk crystals. In total, two hundred and fifty 1D atomic chains are shown to be potentially exfoliable. We demonstrate how the lone electron pairs on cations interact with the p-orbitals of anions and hence stabilize their edge sites. Data analysis of the 2D and 1D materials also reveals the dependence of electronic band gap on the cationic percolation network determined by graph theory. The library of 1D compounds systematically identified in this work will pave the way for the predictive discovery of material systems for quantum engineering, and can serve as a source of stimuli for future data-driven design and understanding of functional materials with reduced dimensionality.

scholarly journals Optical quantum confinement and photocatalytic properties in two-, one- and zero-dimensional nanostructures

2018 ◽  
Vol 5 (9) ◽  
pp. 180387 ◽  
Author(s):  
T. Edvinsson
Keyword(s):  
Band Gap ◽  
High Performance ◽  
New Physics ◽  
Photocatalytic Properties ◽  
Carrier Confinement ◽  
Surface Areas ◽  
Low Dimensionality ◽  
Direct Band ◽  
Indirect Band Gap ◽  
Low Dimensional

Low-dimensional nanomaterials have been explored extensively in the last decades, partly fuelled by the new possibilities for tuning and controlling their electronic properties. In a broader perspective within catalysis, two-, one- and zero-dimensional (2D, 1D and 0D) inorganic nanomaterials represent a bridge between the selectivity of molecular catalysts and the high performance and stability of inorganic catalysts. As a consequence of the low dimensions, higher surface areas are obtained but also introduce new physics and increased tuneability of the electronic states in the nanostructured system. Herein, we derive the commonly used equations for optical transitions and carrier confinement in semiconductors and discuss their effect on the optical and photocatalytic properties of direct band and indirect band gap materials. In particular, the physical properties of the optical and photocatalytic properties of Fe 2 O 3 and ZnO will be used to exemplify the effects of the low dimensionality. Carrier confinement effects with changes in the density of states, band gap/shift of band edges will be outlined together with their effects on the tuneability of the material and their wider application as photocatalytic materials.

scholarly journals A Semiconductive and Microporous One-Dimensional Tubular Metal-Organic Framework

2020 ◽  
Author(s):  
Mehmet Menaf Ayhan ◽  
Ceyda Bayraktar ◽  
Kai Yu ◽  
Gabriel Hanna ◽  
Ozgur Yazaydin ◽  
...  
Keyword(s):  
Band Gap ◽  
Surface Area ◽  
Metal Organic Framework ◽  
High Surface ◽  
High Surface Area ◽  
One Dimensional ◽  
Metal Organic ◽  
Direct Band ◽  
Indirect Band Gap ◽  
Organic Framework

<p>We report the first one-dimensional tubular metal-organic framework (MOF) [Ni(Cu-H6TPPA)]∙2DMA (H8TPPA = 5,10,15,20-tetrakis[p-phenylphosphonic acid] porphyrin) in the literature. The structure of this MOF, known as GTUB4, was solved using single crystal X-ray diffraction and its surface area was calculated to be 1102 m2/g, making it the phosphonate MOF with the highest reported surface area. GTUB4 also possesses a narrow indirect band gap of 1.9 eV and a direct band gap of 2.16 eV, making it a semiconducting MOF. Thermogravimetric analysis of GTUB4 suggests that it is thermally stable up to 400°C. Owing to its high surface area, low band gap, and thermal stability, GTUB4 could find applications as electrodes in supercapacitors.<br></p>

VS4 with a chain crystal structure used as an intercalation cathode for aqueous Zn-ion batteries

2020 ◽  
Vol 8 (21) ◽  
pp. 10761-10766 ◽  
Author(s):  
Qiancheng Zhu ◽  
Qin Xiao ◽  
Bowen Zhang ◽  
Zhengcong Yan ◽  
Xi Liu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cathode Material ◽  
High Performance ◽  
Chain Structure ◽  
Atomic Chain ◽  
One Dimensional ◽  
A Chain

Vanadium tetrasulfide (VS4) with a beneficial one-dimensional atomic-chain structure is reported to be able to serve as a favorable intercalation cathode material for a high-performance Zn-ion battery.

scholarly journals A Semiconductive and Microporous One-Dimensional Tubular Metal-Organic Framework

2020 ◽  
Author(s):  
Mehmet Menaf Ayhan ◽  
Ceyda Bayraktar ◽  
Kai Yu ◽  
Gabriel Hanna ◽  
Ozgur Yazaydin ◽  
...  
Keyword(s):  
Band Gap ◽  
Surface Area ◽  
Metal Organic Framework ◽  
High Surface ◽  
High Surface Area ◽  
One Dimensional ◽  
Metal Organic ◽  
Direct Band ◽  
Indirect Band Gap ◽  
Organic Framework

<p>We report the first one-dimensional tubular metal-organic framework (MOF) [Ni(Cu-H6TPPA)]∙2DMA (H8TPPA = 5,10,15,20-tetrakis[p-phenylphosphonic acid] porphyrin) in the literature. The structure of this MOF, known as GTUB4, was solved using single crystal X-ray diffraction and its surface area was calculated to be 1102 m2/g, making it the phosphonate MOF with the highest reported surface area. GTUB4 also possesses a narrow indirect band gap of 1.9 eV and a direct band gap of 2.16 eV, making it a semiconducting MOF. Thermogravimetric analysis of GTUB4 suggests that it is thermally stable up to 400°C. Owing to its high surface area, low band gap, and thermal stability, GTUB4 could find applications as electrodes in supercapacitors.<br></p>

scholarly journals MoS2 Based Photodetectors: A Review

Sensors ◽  
2021 ◽  
Vol 21 (8) ◽  
pp. 2758
Author(s):  
Alberto Taffelli ◽  
Sandra Dirè ◽  
Alberto Quaranta ◽  
Lucio Pancheri
Keyword(s):  
Electric Fields ◽  
Spectral Range ◽  
Performance Metrics ◽  
Transition Metal Dichalcogenides ◽  
Visible Spectral Range ◽  
Detector Performance ◽  
Strong Light ◽  
Near Ultraviolet ◽  
Passivation Layers ◽  
Low Dimensional

Photodetectors based on transition metal dichalcogenides (TMDs) have been widely reported in the literature and molybdenum disulfide (MoS2) has been the most extensively explored for photodetection applications. The properties of MoS2, such as direct band gap transition in low dimensional structures, strong light–matter interaction and good carrier mobility, combined with the possibility of fabricating thin MoS2 films, have attracted interest for this material in the field of optoelectronics. In this work, MoS2-based photodetectors are reviewed in terms of their main performance metrics, namely responsivity, detectivity, response time and dark current. Although neat MoS2-based detectors already show remarkable characteristics in the visible spectral range, MoS2 can be advantageously coupled with other materials to further improve the detector performance Nanoparticles (NPs) and quantum dots (QDs) have been exploited in combination with MoS2 to boost the response of the devices in the near ultraviolet (NUV) and infrared (IR) spectral range. Moreover, heterostructures with different materials (e.g., other TMDs, Graphene) can speed up the response of the photodetectors through the creation of built-in electric fields and the faster transport of charge carriers. Finally, in order to enhance the stability of the devices, perovskites have been exploited both as passivation layers and as electron reservoirs.

scholarly journals Transparent All-Oxide Hybrid NiO:N/TiO2 Heterostructure for Optoelectronic Applications

Electronics ◽  
2021 ◽  
Vol 10 (9) ◽  
pp. 988
Author(s):  
Chrysa Aivalioti ◽  
Alexandros Papadakis ◽  
Emmanouil Manidakis ◽  
Maria Kayambaki ◽  
Maria Androulidaki ◽  
...  
Keyword(s):  
Band Gap ◽  
Single Phase ◽  
Structural Disorder ◽  
Energy Band Gap ◽  
Nitrogen Doped ◽  
Nio Thin Film ◽  
Direct Band ◽  
Output Characteristics ◽  
Indirect Band Gap ◽  
P Type

Nickel oxide (NiO) is a p-type oxide and nitrogen is one of the dopants used for modifying its properties. Until now, nitrogen-doped NiO has shown inferior optical and electrical properties than those of pure NiO. In this work, we present nitrogen-doped NiO (NiO:N) thin films with enhanced properties compared to those of the undoped NiO thin film. The NiO:N films were grown at room temperature by sputtering using a plasma containing 50% Ar and 50% (O2 + N2) gases. The undoped NiO film was oxygen-rich, single-phase cubic NiO, having a transmittance of less than 20%. Upon doping with nitrogen, the films became more transparent (around 65%), had a wide direct band gap (up to 3.67 eV) and showed clear evidence of indirect band gap, 2.50–2.72 eV, depending on %(O2-N2) in plasma. The changes in the properties of the films such as structural disorder, energy band gap, Urbach states and resistivity were correlated with the incorporation of nitrogen in their structure. The optimum NiO:N film was used to form a diode with spin-coated, mesoporous on top of a compact, TiO2 film. The hybrid NiO:N/TiO2 heterojunction was transparent showing good output characteristics, as deduced using both I-V and Cheung’s methods, which were further improved upon thermal treatment. Transparent NiO:N films can be realized for all-oxide flexible optoelectronic devices.

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