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

Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule01:10

Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule

3.0K
In the AX proton spin system, proton A can sense the two spin states of a coupled proton X, resulting in a doublet NMR signal with two peaks of equal (1:1) intensity. When proton A is coupled to two equivalent protons (AX2 spin system), the spin states of each X can be aligned with or against the external field, creating three possible scenarios. This results in a 1:2:1  triplet signal, where the central peak corresponds to the chemical shift of A and is twice as large or intense as the...
3.0K
The Electrical Double Layer01:30

The Electrical Double Layer

90
In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...
90
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

1.8K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.8K

You might also read

Related Articles

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

Sort by
Same author

Enhanced Nitric Oxide Detection Performance of Layer-like Ni-Doped WO<sub>3</sub>-Based Photoinduced Gas Sensor at Room Temperature.

Materials (Basel, Switzerland)·2026
Same author

Synthesis of Tris(Dimethylamino)Phosphine-Based InP Quantum Dots and Their Application in Light-Emitting Diodes: Progress and Perspectives.

Exploration (Beijing, China)·2026
Same author

Electride Hydrides with a Distinct Stabilization Mechanism: Anionic Electron Trapping and the Formation of H<sup>δ-</sup>@ISQ Composite States in Be-Cu Electrides.

Inorganic chemistry·2026
Same author

Effects of Multisensory Integration Training on Postural Stability Characteristics and Fall Risk in Older Adults: Systematic Review and Meta-Analysis.

JMIR aging·2026
Same author

Regulating interfacial water <i>via</i> Ca-doped RuO<sub><i>x</i></sub> for enhanced acidic oxygen evolution reaction.

Chemical communications (Cambridge, England)·2026
Same author

A sensor for heart filling.

Neuron·2026

Related Experiment Video

Updated: Mar 12, 2026

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

8.4K

Synergy between Charge Transfer and Spatial Descriptors in Determining the Band Gap of hP4-Na: An Interpretable

Leilei Zhang1, Yaru Wei1, Xiaozhen Yan2

  • 1Henan Key Laboratory of Nanocomposites and Applications, Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou 450006, China.

Inorganic Chemistry
|March 10, 2026
PubMed
Summary

Electrides, materials with anion-like electrons, have tunable band gaps. This study reveals charge transfer and electron distribution as key factors controlling the band gap in hP4-Na under pressure.

More Related Videos

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

10.3K
Blast Quantification Using Hopkinson Pressure Bars
09:41

Blast Quantification Using Hopkinson Pressure Bars

Published on: July 5, 2016

9.5K

Related Experiment Videos

Last Updated: Mar 12, 2026

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

8.4K
All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

10.3K
Blast Quantification Using Hopkinson Pressure Bars
09:41

Blast Quantification Using Hopkinson Pressure Bars

Published on: July 5, 2016

9.5K

Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Electrides possess unique electronic properties due to interstitial quasi-atoms (ISQs).
  • Nonmetallic electrides show promise for extreme environments, but their band gap mechanisms are poorly understood.
  • Understanding these mechanisms is crucial for designing novel electronic materials.

Purpose of the Study:

  • To elucidate the microscopic mechanisms governing the band gap of nonmetallic electrides under pressure.
  • To develop a predictive framework for the electronic behavior of hP4-Na under stress.
  • To identify key electronic structure descriptors influencing the band gap.

Main Methods:

  • First-principles calculations under varying pressure and strain.
  • Machine learning techniques, including interpretability analysis and symbolic regression.
  • Analysis of charge transfer (Q_Na1) and electron spatial distribution (V_ISQ/Cell).

Main Results:

  • Charge transfer and electron spatial distribution were identified as dominant factors modulating the band gap.
  • A predictive formula based on five electronic structure descriptors achieved >0.98 accuracy.
  • V_ISQ/Cell was shown to link insulating behavior and superconductivity, offering a new perspective beyond electron localization function.

Conclusions:

  • The electronic structure is confirmed as the physical origin of the band gap in hP4-Na.
  • A quantitative predictive framework for hP4-Na's electronic behavior under stress was established.
  • This research provides a foundation for the rational design of high-pressure electrides.