4.6 Article

Band-Gap Energy and Electronic d-d Transitions of NiWO4 Studied under High-Pressure Conditions

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Optics

Growth and physical investigations on NiWO4 thin films as a potential for NO2 sensing

R. Dridi et al.

Summary: In this study, NiWO4 thin films of 200 nm thickness were successfully deposited on FTO substrates using a sol-gel method via spin coating for gas sensor applications. The films were investigated for their structural, morphological, and optical properties. XRD analysis confirmed a polycrystalline nature with a crystallite size of 80 nm. Raman spectroscopy confirmed the presence of NiWO4. The films displayed uniform surfaces with particles of approximately 50 nm. The NiWO4 exhibited a direct band gap of 2.77 eV. Charge transfer processes at the NiWO4/electrolyte interface were characterized by electrochemical impedance spectroscopy. The NO2 sensing performance of the films was evaluated at low temperatures ranging from 170°C to 260°C.
Article Chemistry, Physical

Effects of High Pressure on the Bandgap and the d-d Crystal Field Transitions in Wolframite NiWO4

Meiyan Ye et al.

Summary: The effects of pressure on the optical and structural properties of NiWO4 were studied. It was found that pressure reduces the fundamental bandgap and increases the Ni2+ d-d transition energies. These optical phenomena are associated with structural variations: the shrinkage of the WO6 octahedron enhances bandgap reduction, while the pressure-induced enhancement of the NiO6 octahedral symmetry increases the Ni2+ d-d intraband transition energies.

JOURNAL OF PHYSICAL CHEMISTRY C (2023)

Article Chemistry, Physical

Accurate Determination of the Bandgap Energy of the Rare-Earth Niobate Series

Alka B. Garg et al.

Summary: Through diffuse reflectivity measurements in InNbO4, ScNbO4, YNbO4, and eight rare-earth niobates, it is found that Tauc plot analysis gives erroneous estimates of the bandgap energy, while accurate results are obtained considering excitonic contributions using the Elliot-Toyozawa model. The bandgaps are 3.25 eV for CeNbO4, 4.35 eV for LaNbO4, 4.5 eV for YNbO4, and 4.73-4.93 eV for SmNbO4, EuNbO4, GdNbO4, DyNbO4, HoNbO4, and YbNbO4. The results indicate that rare-earth substitution has little effect on the bandgap energy and that they have the largest bandgap due to the mainly contribution from Nb 4d and O 2p orbitals near the Fermi level. YNbO4, CeVO4, and LaNbO4 have smaller bandgaps because of the contribution from rare-earth atom 4d, 5d, or 4f orbitals to the states near the Fermi level.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)

Review Materials Science, Multidisciplinary

A review on the advancements in the characterization of the high-pressure properties of iodates

Akun Liang et al.

Summary: The goal of this review is to provide a comprehensive overview of the high-pressure behavior of iodates and their technological applications. Multiple characterization techniques, along with density functional theory calculations, are used to study the phenomena observed in iodates under external compression. The presence of lone electron pairs of iodine atoms is found to play a crucial role in the high-pressure behavior of iodates, affecting the character of iodine-oxygen bonds and causing nonlinear physical properties.

PROGRESS IN MATERIALS SCIENCE (2023)

Article Chemistry, Inorganic & Nuclear

Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO4 at ambient conditions

Lotfi Ibrahim Karaouzene et al.

Summary: In this study, the effect of nitrogen substitution in wolframite-type ScTaO4 was investigated using density-functional theory calculations. The results show that the electronic properties and crystal structure of ScTaO4 can be tuned by partially substituting oxygen atoms with nitrogen atoms.

DALTON TRANSACTIONS (2022)

Article Materials Science, Ceramics

Fabrication of different conductive matrix supported binary metal oxides for supercapacitors applications

Nusrat Shaheen et al.

Summary: The study fabricated spinet binary-metal oxide (FeCo2O4) through a solvent-free and cost-effective approach, and prepared nanocomposites with three different conductive matrices. The FeCo2O4/PANI nanocomposite exhibited the highest specific capacitance and excellent cyclic stability, attributed to its high conductivity, large surface area, and synergy effects. The electrochemical and electrical measurements suggested that the FeCo2O4/PANI nanostructure is a promising contender for energy storage applications.

CERAMICS INTERNATIONAL (2021)

Article Crystallography

P-V-T Equation of State of Iridium Up to 80 GPa and 3100 K

Simone Anzellini et al.

Summary: In this study, the high-pressure high-temperature equation of state of iridium was determined using a combination of in situ synchrotron X-ray diffraction experiments and density-functional theory calculations. The results provide a reliable primary pressure standard for static experiments and include a comparison with other metals, as well as the determination of the radial-distribution function of liquid iridium.

CRYSTALS (2021)

Article Materials Science, Multidisciplinary

Electronic properties and high-pressure behavior of wolframite-type CoWO4

Enrico Bandiello et al.

Summary: The study shows that wolframite-type CoWO4 is stable under high-pressure conditions and has a low band gap, making it suitable for photocatalysis applications. Interestingly, the band gap decreases monotonically upon compression, a phenomenon rarely observed in similar materials.

MATERIALS ADVANCES (2021)

Article Materials Science, Multidisciplinary

Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

Vijaya Begum et al.

Summary: The study of the optical and x-ray absorption spectra of MgO using density functional theory and many-body perturbation theory (MBPT) shows that quasiparticle corrections and excitonic effects significantly improve the prediction of optical properties. Real-space projection analysis helps identify the origin of prominent peaks and the orbital character of relevant contributions.

PHYSICAL REVIEW B (2021)

Article Materials Science, Multidisciplinary

Pressure dependence of the crystal-field spectrum of KNiF3: Single and double excitations

J. A. Barreda-Argueso et al.

Summary: This study investigates the Ni-F distance dependence of Ni2+ crystal-field transitions in KNiF3 through high-pressure spectroscopy, revealing a correlation between Ni-F bond distance and 10Dq. The experimental data provides insight into the suitability of theoretical models and alternative methods for determining bond distances in impurity systems. Furthermore, the analysis of weak UV peaks below the charge-transfer band gap in the absorption spectrum sheds light on single and double excitation transitions.

PHYSICAL REVIEW B (2021)

Article Materials Science, Ceramics

NiWO4 powders prepared via polymeric precursor method for application as ceramic luminescent pigments

Naiara A. Lima et al.

JOURNAL OF ADVANCED CERAMICS (2020)

Article Materials Science, Multidisciplinary

Nickel vacancy acceptor in nickel oxide: Doping beyond thermodynamic equilibrium

Robert Karsthof et al.

PHYSICAL REVIEW MATERIALS (2020)

Article Chemistry, Multidisciplinary

Full Water Splitting Electrocatalyzed by NiWO4 Nanowire Array

Yuyao Ji et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2018)

Review Crystallography

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

Daniel Errandonea et al.

CRYSTALS (2018)

Article Chemistry, Inorganic & Nuclear

Electronic structure, growth mechanism, and sonophotocatalytic properties of sphere-like self-assembled NiWO4 nanocrystals

F. J. O. Rosal et al.

INORGANIC CHEMISTRY COMMUNICATIONS (2018)

Article Chemistry, Multidisciplinary

Synthesis, characterization, and enhanced photocatalytic properties of NiWO4 nanobricks

Saad M. AlShehri et al.

NEW JOURNAL OF CHEMISTRY (2017)

Article Chemistry, Physical

Crystal-Field Theory Validity Through Local (and Bulk) Compressibilities in CoF2 and KCoF3

J. Antonio Barreda-Argueso et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Materials Science, Multidisciplinary

Synthesis of mesoporous NiWO4 nanocrystals for enhanced photoelectrochemical water oxidation

M. I. Ahmed et al.

MATERIALS LETTERS (2016)

Article Physics, Multidisciplinary

DIOPTAS: a program for reduction of two-dimensional X-ray diffraction data and data exploration

Clemens Prescher et al.

HIGH PRESSURE RESEARCH (2015)

Article Chemistry, Physical

Tuning the band gap of PbCrO4 through high-pressure: Evidence of wide-to-narrow semiconductor transitions

D. Errandonea et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2014)

Article Materials Science, Multidisciplinary

In situ high-pressure synchrotron X-ray diffraction study of the structural stability in NdVO4 and LaVO4

D. Errandonea et al.

MATERIALS RESEARCH BULLETIN (2014)

Article Physics, Multidisciplinary

Energy-dispersive X-ray diffraction beamline at Indus-2 synchrotron source

K. K. Pandey et al.

PRAMANA-JOURNAL OF PHYSICS (2013)

Software Review Chemistry, Multidisciplinary

PASCal: a principal axis strain calculator for thermal expansion and compressibility determination

Matthew J. Cliffe et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2012)

Article Physics, Multidisciplinary

Insulator-Metal Transition in Highly Compressed NiO

Alexander G. Gavriliuk et al.

PHYSICAL REVIEW LETTERS (2012)

Article Physics, Multidisciplinary

Anomalous High-Pressure Jahn-Teller Behavior in CuWO4

J. Ruiz-Fuertes et al.

PHYSICAL REVIEW LETTERS (2012)

Article Chemistry, Inorganic & Nuclear

A comparison of the electronic and optical properties of zinc-blende, rocksalt and wurtzite AlN: A DFT study

Zhao-Yong Jiao et al.

SOLID STATE SCIENCES (2011)

Article Physics, Multidisciplinary

First-principles LCAO study of phonons in NiWO4

Alexei Kuzmin et al.

CENTRAL EUROPEAN JOURNAL OF PHYSICS (2011)

Review Physics, Condensed Matter

Performance of scintillation materials at cryogenic temperatures

V. B. Mikhailik et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2010)

Article Physics, Applied

Hydrostatic limits of 11 pressure transmitting media

S. Klotz et al.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2009)

Article Thermodynamics

Influence of the thermal treatment in the crystallization of NiWO4 and ZnWO4

A. L. M. de Oliveira et al.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2009)

Article Physics, Multidisciplinary

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

Fabien Tran et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

High-pressure electrical transport measurements on p-type GaSe and InSe

D. Errandonea et al.

HIGH PRESSURE RESEARCH (2006)

Article Materials Science, Multidisciplinary

Equations of state of six metals above 94 GPa

A Dewaele et al.

PHYSICAL REVIEW B (2004)