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

¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.2K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.2K
Biasing of Metal-Semiconductor Junctions01:27

Biasing of Metal-Semiconductor Junctions

215
Biasing metal-semiconductor junctions involves applying a voltage across the junction. Specifically, the metal is connected to a voltage source, while the semiconductor is grounded. This technique is essential for controlling the direction and magnitude of current flow in electronic devices, including diodes, transistors, and photovoltaic cells.
In Schottky junctions, where the semiconductor is n-type, applying a positive voltage to the metal relative to the semiconductor reduces its Fermi...
215
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule01:10

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

1.2K
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...
1.2K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.1K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.1K
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

1.2K
In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as...
1.2K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

889
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
889

You might also read

Related Articles

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

Sort by
Same author

Tuning Rashba Splitting for Bright Ground-State Excitons in 2D CsPbBr<sub>3</sub> Perovskites through Structural Distortions.

ACS nano·2025
Same author

Insights into Electrochemical CO<sub>2</sub> Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy.

ACS catalysis·2024
Same author

Recent advances in the use of TiO<sub>2</sub> nanotube powder in biological, environmental, and energy applications.

Nanoscale advances·2022
Same author

Computational and Experimental Evaluation of Peroxide Oxidants for Amine-Peroxide Redox Polymerization.

Macromolecules·2022
Same author

Visible-Light Photoinitiation of (Meth)acrylate Polymerization with Autonomous Post-conversion.

Macromolecules·2022
Same author

X-ray absorption spectroscopy insights on the structure anisotropy and charge transfer in Chevrel Phase chalcogenides.

Physical chemistry chemical physics : PCCP·2022

Related Experiment Video

Updated: Jun 8, 2025

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
09:00

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

Published on: June 28, 2018

9.9K

Elucidating the Interplay between Symmetry Distortions in Passivated MAPbI3 and the Rashba Splitting Effect.

Basant A Ali1, Suxuen Yew1, Charles B Musgrave1,2,3,4,5

  • 1Department of Chemical and Biological Engineering, University of Colorado, Boulder, Colorado 80303, United States.

ACS Nano
|November 5, 2024
PubMed
Summary
This summary is machine-generated.

Surface ligands and structural distortions significantly impact Rashba splitting in hybrid perovskites, crucial for optoelectronics. This study shows ligands can eliminate trap states and tune splitting, while symmetry loss enhances it, paving the way for improved single photon sources.

Keywords:
DFTRashba splittinglead halide perovskiteligandspin orbit couplingsymmetry

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

9.5K
In Situ Transmission Electron Microscopy with Biasing and Fabrication of Asymmetric Crossbars Based on Mixed-Phased a-VOx
09:49

In Situ Transmission Electron Microscopy with Biasing and Fabrication of Asymmetric Crossbars Based on Mixed-Phased a-VOx

Published on: May 13, 2020

4.0K

Related Experiment Videos

Last Updated: Jun 8, 2025

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
09:00

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

Published on: June 28, 2018

9.9K
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

9.5K
In Situ Transmission Electron Microscopy with Biasing and Fabrication of Asymmetric Crossbars Based on Mixed-Phased a-VOx
09:49

In Situ Transmission Electron Microscopy with Biasing and Fabrication of Asymmetric Crossbars Based on Mixed-Phased a-VOx

Published on: May 13, 2020

4.0K

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Hybrid organic-inorganic perovskites are vital for optoelectronics, especially as single photon sources, due to their bright ground state.
  • Surface trap states, caused by dangling bonds, impede the commercial application of these perovskites.
  • Rashba splitting is a key phenomenon linked to the bright ground state and optoelectronic properties.

Purpose of the Study:

  • To investigate the influence of passivating ligands and their binding sites on Rashba splitting in hybrid perovskites using density functional theory (DFT).
  • To understand how surface trap states and local symmetry affect Rashba splitting.
  • To explore the tunability of Rashba splitting via ligand choice and external electric fields.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed to model perovskite surfaces.
  • The effects of various passivating ligands (X2, X4) and their adsorption sites (acidic oxygen, zwitterionic) were studied.
  • Analysis focused on Rashba splitting in valence and conduction bands, and the impact of structural symmetry and electric fields.

Main Results:

  • X2 and X4 ligands adsorbed at specific sites effectively eliminate trap states caused by iodine vacancies.
  • Structural distortions and loss of symmetry predominantly determine the presence and magnitude of Rashba splitting.
  • Ligand adsorption alters local symmetry, influencing Rashba splitting, with X2 ligands showing distinct Rashba-Dresselhaus splitting in the conduction band.

Conclusions:

  • Surface passivating ligands and symmetry distortions are critical factors in controlling Rashba splitting and optoelectronic properties of perovskite nanocrystals.
  • Ligand choice and binding site characteristics influence Rashba splitting wavelength and tunability by electric fields.
  • Pure Rashba splitting is more sensitive to symmetry distortion than to specific ligand binding sites.