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

You might also read

Related Articles

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

Sort by
Same author

Exploration of the potential utilization value in <i>Cordyceps militaris</i> substrate after industrial cultivation in terms of nutritional and pharmaceutical applications.

Science progress·2026
Same author

Macrophage-mediated antibiotic evasion and competitive dominance of mcr-3-carrying Escherichia coli.

PLoS pathogens·2026
Same author

An exciting Approach to Theoretical Spectroscopy.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)·2026
Same author

Reprogramming Photosensitization Mechanisms for Hypoxic Tumor Therapy via Organic Photovoltaic-Inspired Heterojunctions.

Angewandte Chemie (International ed. in English)·2026
Same author

Fabrication and Characterization of Bio-Based Aerogels Derived from <i>Bacillus amyloliquefaciens</i> SQ-2 Exopolysaccharides: Structural Characterization and In Vitro Antitumor Activity Analysis.

Gels (Basel, Switzerland)·2026
Same author

TkNACs Heterodimerization and Methyl Jasmonate Signaling Synergistically Mediate Root Development in <i>Taraxacum kok-saghyz</i>.

Plants (Basel, Switzerland)·2026

Related Experiment Video

Updated: Dec 28, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.9K

Pb dimerization greatly accelerates charge losses in MAPbI3: Time-domain ab initio analysis.

Zhaosheng Zhang1, Lu Qiao1, Carlos Mora-Perez2

  • 1College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing 100875, People's Republic of China.

The Journal of Chemical Physics
|February 17, 2020
PubMed
Summary

Defects in metal halide perovskites significantly impact performance. A lead dimer defect dramatically accelerates charge losses, unlike a simple lead interstitial, offering insights for improving perovskite devices.

More Related Videos

Submillisecond Conformational Changes in Proteins Resolved by Photothermal Beam Deflection
10:02

Submillisecond Conformational Changes in Proteins Resolved by Photothermal Beam Deflection

Published on: February 18, 2014

9.3K
Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

7.2K

Related Experiment Videos

Last Updated: Dec 28, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.9K
Submillisecond Conformational Changes in Proteins Resolved by Photothermal Beam Deflection
10:02

Submillisecond Conformational Changes in Proteins Resolved by Photothermal Beam Deflection

Published on: February 18, 2014

9.3K
Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

7.2K

Area of Science:

  • Materials Science
  • Solid-State Physics
  • Computational Chemistry

Background:

  • Metal halide perovskites are promising semiconductors for solar cells due to efficient light harvesting and long charge carrier lifetimes.
  • Device performance is often limited by nonradiative charge and energy losses, which are exacerbated by material defects.

Purpose of the Study:

  • To investigate the influence of defect chemical states on charge losses in metal halide perovskites.
  • To atomistically analyze the impact of an extra lead (Pb) atom defect in methylammonium lead iodide (CH3NH3PbI3) on charge trapping and recombination.

Main Methods:

  • Employed nonadiabatic molecular dynamics combined with time-domain density functional theory.
  • Simulated charge trapping and recombination dynamics for different chemical states of excess Pb atoms.

Main Results:

  • A Pb interstitial defect showed a mild effect on charge recombination.
  • A Pb dimer defect significantly accelerated charge trapping and recombination by creating a midgap trap state.
  • Hole decay from the valence band and recombination with conduction band electrons were orders of magnitude faster in the presence of a Pb dimer.

Conclusions:

  • The chemical state of defects critically influences charge loss mechanisms in perovskites.
  • Pb dimer defects act as efficient recombination centers, detrimental to perovskite performance.
  • Understanding these atomistic defect dynamics provides crucial theoretical guidance for enhancing perovskite solar cell efficiency.