2D graphitic-like gallium nitride and other structural selectivity in confinement at the graphene/SiC interface

Sfuncia, Gianfranco; Nicotra, Giuseppe; Giannazzo, Filippo; Pécz, Béla; Gueorguiev, Gueorgui Kostov; Kakanakova-Georgieva, Anelia

doi:10.1039/d3ce00515a

Cited by 37 publications

(12 citation statements)

References 33 publications

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“…The principal peak aligns with the standard tetragonal Bi 2 O 2 Se structure (PDF#731316). Additionally, the presence of a minor peak at approximately 28 • corroborates the existence of Bi 2 O 3 as a secondary phase within the Te-doped specimens, as substantiated by references [48,49]. Through strategic labeling of key peak positions, it becomes evident that the progressive increase in Te substitution concentration corresponds to a gradual shift of most peak values towards lower angles.…”

Section: Characterization Of Te-doped Bi 2 O 2 Sesupporting

confidence: 65%

Optimizing Thermoelectric Performance of Hybrid Crystals Bi2O2Se1−xTex in the Bi2O2X System

Xie,

Ma,

Zhou

2024

Materials

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In addressing the global need for sustainable energy conversion, this study presents a breakthrough in thermoelectric materials research by optimizing the Bi2O2Se1–xTex system in the Bi2O2Se/Bi2O2Te pseudobinary series. Leveraging the principles of innovative transport mechanisms and defect engineering, we introduce tellurium (Te) doping into Bi2O2Se to enhance its thermoelectric properties synergistically. With the help of various advanced characterization tools such as XRD, SEM, TEM, XPS, FTIR, TGA, LFA, and DSC, combined with relevant resistance and density measurement techniques, we conducted an in-depth exploration of the complex interactions between various factors within thermoelectric materials. We recognize that the balance and synergy of these factors in the thermoelectric conversion process are crucial to achieving efficient energy conversion. Through systematic research, we are committed to revealing the mechanisms of these interactions and providing a solid scientific foundation for the optimal design and performance enhancement of thermoelectric materials. Finally, the advantage coefficient (ZT) of the thermoelectric material has been significantly improved. The crystallographic analysis confirms the formation of a continuous series of mixed crystals with varying Te concentrations, adhering to Vegard’s law and exhibiting significant improvements in electrical and thermal conductivities. The Bi2O2Se1–xTex crystals, particularly the Bi2O2Se0.6Te0.4 composition, demonstrate a peak ZT of 0.86 at 373 K. This achievement aligns with recent advancements in defect-enabled mechanisms and band convergence and sets a new standard for high-performance thermoelectrics. The study’s findings contribute significantly to the ongoing quest for efficient thermal-to-electrical energy conversion, offering a promising avenue for future sustainable energy technologies.

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Section: Characterization Of Te-doped Bi 2 O 2 Sesupporting

confidence: 65%

Optimizing Thermoelectric Performance of Hybrid Crystals Bi2O2Se1−xTex in the Bi2O2X System

Xie,

Ma,

Zhou

2024

Materials

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“…Fully atomistic MD simulations, using the adaptive intermolecular reactive empirical bond order (AIREBO) potential, , were carried out to investigate the effects of eC on γ-graphyne nanoribbons. Although thermal properties could be calculated from ab initio methods, structure size and conditions for the investigation of the eC effect are better described with classical methods. The AIREBO potential is well-known for its effectiveness in reliably describing different carbon nanostructures. − The simulations were designed to determine the eC temperature changes and COP magnitudes.…”

Section: Methodsmentioning

confidence: 99%

Enhanced Elastocaloric Effects in γ-Graphyne

Kanegae,

Pereira Junior,

Galvão

et al. 2024

ACS Appl. Mater. Interfaces

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“…In addition, III–V nitride nanostructures have excellent electrical, energy band and structural properties. In 2023, Gianfranco Sfuncia et al investigated the properties of the III–V nitride nanostructures through first-principles calculations based on density functional theory, which contributes to the construction of more stable III–V multilayer nanostructures [ 7 ]. However, due to the high degree of dislocation usually produced by nitride thin films, the performance of the device deteriorates.…”

Section: Introductionmentioning

confidence: 99%

Controlling GaN-Based Laser Diode Performance by Variation of the Al Content of an Inserted AlGaN Electron Blocking Layer

Chen,

Jiang,

Zeng

et al. 2024

Nanomaterials

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The leakage of the electronic current of a laser diode (LD) has some significant influences on the performance of the LD. In this study, commercial simulation software LASTIP is used to numerically evaluate the performances of LDs by using different wavelengths and Al contents of the electron blocking layer (EBL). These LDs a adopt multilayer structure, which contains cladding layers, waveguide layers, multiple quantum well layers, contact layers and an AlxGa1−xN EBL. The influence mechanism of EBL is theoretically examined by analyzing the simulated performances. It is found that for short-wavelength violet LDs, the electrical and optical properties of the LD will reach the optimum state when the Al content (x) in the EBL is nearly 0.25. For long-wavelength green LDs, it will achieve optimum electrical and optical properties when the Al content in the EBL is as low as possible. We also compare the simulation results of LDs with emission wavelengths in the range of violet and green, including blue cyan, for a more general evaluation. According to the simulated results, it is verified that the influence of the EBL’s Al content on LD performance enhances as the wavelength increases.

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2D graphitic-like gallium nitride and other structural selectivity in confinement at the graphene/SiC interface

Abstract: Beyond the predictions routinely achievable by first-principles calculations and using metal-organic chemical vapor deposition (MOCVD), we report a GaN monolayer in a buckled geometry obtained in confinement at graphene/SiC interface....

Cited by 37 publications

References 33 publications

Optimizing Thermoelectric Performance of Hybrid Crystals Bi2O2Se1−xTex in the Bi2O2X System

Optimizing Thermoelectric Performance of Hybrid Crystals Bi2O2Se1−xTex in the Bi2O2X System

Enhanced Elastocaloric Effects in γ-Graphyne

Controlling GaN-Based Laser Diode Performance by Variation of the Al Content of an Inserted AlGaN Electron Blocking Layer

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