Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

23.8K
In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
23.8K
Nuclear Overhauser Enhancement (NOE)01:07

Nuclear Overhauser Enhancement (NOE)

646
Irradiation of a spin-active nucleus causes an increase or decrease in the signal intensity of neighboring nuclei that are not necessarily chemically bonded or involved in J-coupling.  This phenomenon, called the Nuclear Overhauser Enhancement (NOE), results from through-space interactions between the nuclear spins. The NOE effect decreases with increasing internuclear distance and is generally not observed beyond 4 angstroms. In NOE, dipole-dipole interactions between neighboring...
646
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

34.7K
To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
34.7K
Arrhenius Plots02:34

Arrhenius Plots

39.0K
The Arrhenius equation relates the activation energy and the rate constant, k, for chemical reactions. In the Arrhenius equation, k = Ae−Ea/RT, R is the ideal gas constant, which has a value of 8.314 J/mol·K, T is the temperature on the kelvin scale, Ea is the activation energy in J/mole, e is the constant 2.7183, and A is a constant called the frequency factor, which is related to the frequency of collisions and the orientation of the reacting molecules.
The Arrhenius equation can be used...
39.0K
Electron Configurations02:46

Electron Configurations

16.4K
Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p,...
16.4K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.3K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.3K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Engineering Oxidation-Resistant Uranium Mononitride Surfaces via Thermodynamically Stable (111) Facets.

Inorganic chemistry·2026
Same author

Characteristic wavelength selection for rice blast based on hyperspectral remote sensing and deep convolutional neural networks.

Pest management science·2026
Same author

OFDR Distributed Demodulation Optimization Algorithm Using Discrete-Time Analytic Signal Backscattered Rayleigh Spectrum.

Sensors (Basel, Switzerland)·2025
Same author

Achieving superior radiation tolerance in ceramics via in-situ defect recombination.

Nature communications·2025
Same author

Improved Multi-Stage Rice Above-Ground Biomass Estimation Using Wavelet-Texture-Fused Vegetation Indices from UAV Remote Sensing.

Plants (Basel, Switzerland)·2025
Same author

Circumventing the Metastable States within DFT+<i>U</i> through Random Orbital-Dependent Local Perturbation.

Journal of chemical theory and computation·2025

Related Experiment Video

Updated: Jun 16, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.6K

Energetics of Intrinsic Point Defects in NpO2 from DFT + U Calculations.

Huilong Yu1, Shuaipeng Wang1, Laiyang Li1

  • 1Institute of Materials, China Academy of Engineering Physics, Mianyang 621907, China.

Materials (Basel, Switzerland)
|June 13, 2025
PubMed
Summary

Understanding neptunium dioxide (NpO2) point defects is crucial. This study reveals how Schottky, Frenkel, and antisite defects form, especially in anoxic conditions, impacting NpO2 chemical properties.

Keywords:
Frenkel defectSchottky defectantisite defectsforming processintrinsic point defect

More Related Videos

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
07:24

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

5.9K
A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
07:52

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

Published on: April 12, 2017

12.8K

Related Experiment Videos

Last Updated: Jun 16, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.6K
Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
07:24

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

5.9K
A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
07:52

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

Published on: April 12, 2017

12.8K

Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Computational Materials Science

Background:

  • Intrinsic point defects in neptunium dioxide (NpO2) significantly influence its chemical behavior.
  • The formation mechanisms of these defects remain incompletely understood, hindering precise material property prediction.

Purpose of the Study:

  • To systematically investigate the formation processes of Schottky, Frenkel, and substitutional impurity defects in NpO2.
  • To elucidate the influence of varying oxygen environments and electronic states on defect formation energies.

Main Methods:

  • Utilized first-principles plane-wave pseudopotential methods for defect calculations.
  • Analyzed defect formation energies across different valence states, oxygen partial pressures, and Fermi levels.

Main Results:

  • Formation energies are sensitive to valence states, oxygen environments, and Fermi energy.
  • Antisite defects were identified.
  • Schottky, Frenkel, and antisite defects are infrequent under oxygen-rich conditions.
  • Anoxic environments promote new defect pairs, including specific Schottky and Np-Frenkel defects, and oxygen-neptunium antisite pairs.

Conclusions:

  • The study provides a detailed understanding of intrinsic point defect formation in NpO2.
  • Findings offer new insights into defect behavior under diverse chemical conditions, crucial for NpO2 applications.