☆ 4.5 Article

Predicting structural, optoelectronic and mechanical properties of germanium based AGeF3 (A = Ga and In) halides perovskites using the DFT computational approach

OPTICAL AND QUANTUM ELECTRONICS (2023)

Related references

Note: Only part of the references are listed.

Article Physics, Multidisciplinary

The nonlinear effects and applications of gain doped whispering-gallery mode cavities

Xing-yu Wu et al.

Summary: This review outlines the recent advancements in gain-doped optical whispering-gallery mode microcavities, including the dynamics of gain in WGM resonators, integration of gain media in various shaped microcavities, and fabrication and applications of gain microcavities. It also introduces the applications of gain cavity based on whispering-gallery mode, such as ultra-sensitive sensors, low-threshold lasers, and high-performance optical systems.

EPL (2023)

Add to Collection

Article Chemistry, Multidisciplinary

Enhancing the photovoltaic performance of planar heterojunction perovskite solar cells via introducing binary-mixed organic electron transport layers

Shiqi Wang et al.

Summary: Optimizing electron transport layers (ETLs) by using binary-mixed organic ETLs is an effective way to enhance the performance and stability of inverted perovskite solar cells (PSCs). In this study, a binary-mixed organic ETLs is fabricated by doping an n-type organic molecule, m-ITTC, into PCBM ETLs. The modified PSCs show a PCE of 15.62% with negligible hysteresis and improved stability.

NEW JOURNAL OF CHEMISTRY (2023)

Add to Collection

Article Physics, Multidisciplinary

First-principles calculations to investigate the physical properties of silicate perovskites ASiO3 (A = Al, In) using density functional theory

S. Khondoker et al.

Summary: In this study, the physical properties of silicate perovskites ASiO(3) (A = Al, In) were investigated using density functional theory. The results showed that these materials have good mechanical stability and metal-like characteristics, suggesting potential optoelectronic applications and thermal responsiveness.

INDIAN JOURNAL OF PHYSICS (2023)

Add to Collection

Article Engineering, Electrical & Electronic

Virtual synchronous generator of PV generation without energy storage for frequency support in autonomous microgrid

Cheng Zhong et al.

Summary: A novel virtual synchronous generator (VSG) control method is introduced in this study to provide frequency support in PV generation without the need for additional energy storage. The VSG control utilizes pre-defined power versus voltage curve to reserve part of the active power from PV generation.

INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS (2022)

Add to Collection

Article Metallurgy & Metallurgical Engineering

Effects of solder thickness on interface behavior and nanoindentation characteristics in Cu/Sn/Cu microbumps

Zhiyuan Zhang et al.

Summary: The thickness of solder significantly affects the interfacial transfer and performance of microbumps. Thinner solder leads to a more noticeable improvement in hardness.

WELDING IN THE WORLD (2022)

Add to Collection

Article Engineering, Electrical & Electronic

Band gap engineering to stimulate the optoelectronic performance of lead-free halide perovskites RbGeX3 (X = Cl, Br) under pressure

S. K. Mitro et al.

Summary: In this study, the physical, optical, and mechanical properties of lead-free halide perovskites RbGeX3 (X = Cl, Br) under hydrostatic pressure were investigated using density-functional theory. The results showed that these materials have strong covalent bonding and excellent optoelectronic properties under high pressure, making them suitable candidates for practical applications such as photovoltaics and solar panels. This research is expected to support further exploration of lead-free halide perovskites by researchers worldwide.

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS (2022)

Add to Collection

Article Materials Science, Multidisciplinary

Band gap shifting of halide perovskite CsCaBr3 from ultra-violet to visible region under pressure for photovoltaic applications

Ismile Khan Shuvo et al.

Summary: Throughout this study, the effects of hydrostatic pressure on the physical properties of CsCaBr3 are investigated. The lattice parameters and electronic band gap are found to decrease under pressure, making the material more suitable for optoelectronic applications. The mechanical stability and properties of CsCaBr3 are also confirmed.

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS (2022)

Add to Collection

Article Physics, Condensed Matter

Electronic phase transition from semiconducting to metallic in cubic halide CsYbCl3 perovskite under hydrostatic pressure

Md Riaz Molla et al.

Summary: Throughout this study, the density functional theory was used to investigate the structural, electronic, optical, and mechanical properties of cubic halide perovskite CsYbCl3 under different hydrostatic pressure. The results showed that pressure significantly reduced the lattice constant and unit cell volume. The band gap also exhibited a reducing tendency under pressure up to 120 GPa, but a transformation from semiconducting to metallic behavior was observed at 160 and 200 GPa pressure. The tuning of band gap enhanced the electron transfer, optical absorption, and conductivity of CsYbCl3, making it more advantageous for device applications. Optical function analysis indicated that hydrostatic pressure further enhanced the suitability of CsYbCl3 for various potential applications. The mechanical properties reflected the ductile and anisotropic nature of CsYbCl3, which were greatly affected by applied pressure.

PHYSICA B-CONDENSED MATTER (2022)

Add to Collection

Article Multidisciplinary Sciences

Tuning band gap and enhancing optical functions of AGeF3 (A = K, Rb) under pressure for improved optoelectronic applications

Md Safin Alam et al.

Summary: This study investigates the physical characteristics of AGeF(3) (A = K, Rb) under hydrostatic pressure using density functional theory. The research aims to reduce the electronic band gap of AGeF(3) to improve its optical properties for optoelectronic applications. The results show that the structural parameters are in line with previous studies, and the bonding between atoms becomes stronger under pressure. The application of hydrostatic pressure leads to changes in optical absorption and conductivity, with a lower band gap and improved conductivity observed. The study suggests that AGeF(3) may be suitable for use in optoelectronic devices operating in the visible and ultraviolet spectrum, and the compounds become more ductile and anisotropic under pressure.

SCIENTIFIC REPORTS (2022)

Add to Collection

Article Optics

Design of a high-performance graphene/SiO2-Ag periodic grating/MoS2 surface plasmon resonance sensor

XiaoLin Liu et al.

Summary: This study optimized a surface plasmon resonance (SPR) sensor based on SiO2-Ag periodic grating using a graphene and MoS2 hybrid structure to enhance its sensitivity. The experimental results showed that the sensor achieved significantly improved sensitivity and quality factor with a good linear relationship.

APPLIED OPTICS (2022)

Add to Collection

Article Metallurgy & Metallurgical Engineering

First-principles calculations to investigate switching from semiconducting to metallic with enhanced mechanical and optoelectronic properties of CsPbCl3 under pressure

Khandaker Monower Hossain

Summary: Lead-free halide perovskite CsPbCl3 shows significant structural, mechanical, and electronic property changes under different hydrostatic pressures. The lattice constant and unit cell volume decrease with pressure, while the phase stability is maintained. CsPbCl3 exhibits ductile mechanical properties that become more pronounced with increasing pressure. The band gap decreases up to a certain pressure, leading to a transformation from a semiconductor to a metal. The tunable band gap enhances optical absorption and conductivity, making CsPbCl3 more favorable for optoelectronic device applications.

INTERNATIONAL JOURNAL OF MATERIALS RESEARCH (2022)

Add to Collection

Article Engineering, Multidisciplinary

A temperature field reconstruction method based on acoustic thermometry

Qishui Zhong et al.

Summary: This paper proposes a temperature field reconstruction method based on acoustic thermometry to monitor the combustion conditions in power plant boilers. The improved algorithm achieves fast and accurate temperature field monitoring. The experimental results show that this method has shorter reconstruction time, better reconstruction accuracy and robustness, making it feasible for engineering applications in power plant boilers.

MEASUREMENT (2022)

Add to Collection

Article Materials Science, Multidisciplinary

High-Performance Visible to Near-Infrared Broadband Bi2O2Se Nanoribbon Photodetectors

Yuchao Wei et al.

Summary: This study successfully synthesized a Bi2O2Se nanoribbon and achieved a fast response and low noise photodetector by applying a Schottky barrier between the Bi2O2Se and Au electrodes. The device has low dark current and fast response time, providing new opportunities for high-performance VIS-NIR photodetectors.

ADVANCED OPTICAL MATERIALS (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Key difference between transition state stabilization and ground state destabilization: increasing atomic charge densities before or during enzyme-substrate binding

Deliang Chen et al.

Summary: The catalytic power of enzymes can be achieved through the stabilization of transition states or the destabilization of ground states. Both approaches reduce the free energy barriers of reactions by enhancing the charge densities of catalytic atoms. This study resolves the debate between transition state stabilization and ground state destabilization and contributes to our understanding of catalysis and the design of artificial enzymes.

CHEMICAL SCIENCE (2022)

Add to Collection

Article Chemistry, Multidisciplinary

First-principal investigations of electronic, structural, elastic and optical properties of the fluoroperovskite TlLF3 (L = Ca, Cd) compounds for optoelectronic applications

Mohammad Sohail et al.

Summary: In this research, Tl-based fluoroperovskite compounds TlLF3 (L = Ca, Cd) were computationally investigated to understand their structural, elastic, optical, and electronic properties. The results showed that these compounds are structurally stable with a wide direct bandgap and high optical properties, making them potential candidates for the semiconductor industries and optoelectronic devices.

RSC ADVANCES (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Ultra-violet to visible band gap engineering of cubic halide KCaCl3 perovskite under pressure for optoelectronic applications: insights from DFT

Muhtasim Ali Haq et al.

Summary: Density functional theory is utilized to investigate the effects of hydrostatic pressure on KCaCl3, which results in significant changes in the material's structural, electrical, optical, and mechanical properties. The findings suggest that applying pressure can increase efficiency of optoelectronic devices and make the material more suitable for optoelectronic applications.

RSC ADVANCES (2021)

Add to Collection

Article Materials Science, Multidisciplinary

Reversible Switching of Interlayer Exchange Coupling through Atomically Thin VO2 via Electronic State Modulation

Xiaofei Fan et al.

MATTER (2020)

Add to Collection

Article Chemistry, Inorganic & Nuclear

First-Principles Study on Structural, Electronic, and Optical Properties of Inorganic Ge-Based Halide Perovskites

Un-Gi Jong et al.

INORGANIC CHEMISTRY (2019)

Add to Collection

Article Multidisciplinary Sciences

New tolerance factor to predict the stability of perovskite oxides and halides

Christopher J. Bartel et al.

SCIENCE ADVANCES (2019)

Add to Collection

Review Neurosciences

Astrocyte function from information processing to cognition and cognitive impairment

Mirko Santello et al.

NATURE NEUROSCIENCE (2019)

Add to Collection

Article Chemistry, Physical

IRelast package

M. Jamal et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2018)

Add to Collection

Article Physics, Condensed Matter

Mechanical and magneto-opto-electronic investigation of transition metal based fluoro-perovskites: An ab-initio DFT study

Nazia Erum et al.

SOLID STATE COMMUNICATIONS (2017)

Add to Collection

Article Materials Science, Multidisciplinary

Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations

Sabine Koerbel et al.

JOURNAL OF MATERIALS CHEMISTRY C (2016)

Add to Collection

Review Materials Science, Multidisciplinary

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

I. B. Obot et al.

CORROSION SCIENCE (2015)

Add to Collection

Article Materials Science, Multidisciplinary

Elastic, electronic and thermodynamic properties of fluoro-perovskite KZnF3 via first-principles calculations

T. Seddik et al.

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2012)

Add to Collection

Article Materials Science, Multidisciplinary

Performance of the modified Becke-Johnson potential for semiconductors

J. A. Camargo-Martinez et al.

PHYSICAL REVIEW B (2012)

Add to Collection

Article Materials Science, Multidisciplinary

High-pressure structural study of fluoro-perovskite CsCdF3 up to 60 GPa: A combined experimental and theoretical study

G. Vaitheeswaran et al.

PHYSICAL REVIEW B (2010)

Add to Collection

Article Physics, Condensed Matter

High pressure study of structural and electronic properties of calcium chalcogenides

Z Charifi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2005)

Add to Collection

Article Physics, Condensed Matter

Electron-phonon interaction in the V2+:CsCaF3 laser crystal:: geometry of the [VF6]4- complex in the 4T2g excited state

CN Avram et al.

PHYSICA B-CONDENSED MATTER (2005)

Add to Collection

Article Chemistry, Multidisciplinary

Structural and electronic properties of matlockite MFX (M=Sr, Ba, Pb; X=Cl, Br, I) compounds

FE Hassan et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2004)

Add to Collection

Article Physics, Applied

Band structures of perovskite-like fluorides for vacuum-ultraviolet-transparent lens materials

T Nishimatsu et al.

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS (2002)

Add to Collection

Article Biochemistry & Molecular Biology

Molecular dynamics simulations

T Hansson et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2002)

Add to Collection

Article Physics, Condensed Matter

A low-temperature structural phase transition in CsPbF3

P Berastegui et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2001)

Add to Collection

Article Physics, Condensed Matter

Close correlation among lattice, spin, and charge in the manganese-based antiperovskite material

WS Kim et al.

SOLID STATE COMMUNICATIONS (2001)

Add to Collection

© Peeref 2019-2024. All rights reserved.