Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites-Reference-Cited by-同舟云学术

Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites

Published:2021 Issue:23 Volume:13 Page:10239-10265
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Li Wei¹²³⁴^ORCID,She Yalan¹²³⁴,Vasenko Andrey S.⁵⁶⁷⁸⁹^ORCID,Prezhdo Oleg V.¹⁰¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. School of Chemistry and Materials Science

2. Hunan Agricultural University

3. Changsha 410128

4. People's Republic of China

5. HSE University

6. 101000 Moscow

7. Russia

8. I.E. Tamm Department of Theoretical Physics

9. P.N. Lebedev Physical Institute

10. Department of Chemistry

11. University of Southern California

12. Los Angeles

13. 90089

14. USA

Abstract

Atomistic details govern quantum dynamics of charge carriers in metal halide perovskites, which exhibit properties of solid state and molecular semiconductors, as revealed by time-domain density functional theory and nonadiabatic molecular dynamics.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hunan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NR/D1NR01990B

Reference290 articles.

1. A fluorene-terminated hole-transporting material for highly efficient and stable perovskite solar cells

2. Silicon heterojunction solar cell with interdigitated back contacts for a photoconversion efficiency over 26%

3. Cd-Free Cu(In,Ga)(Se,S)2 Thin-Film Solar Cell With Record Efficiency of 23.35%

4. Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH 3 NH 3 PbI 3

5. Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber

Cited by 77 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Enhanced high-temperature iodine capture through band-edge control in covalent organic frameworks;Chemical Engineering Journal;2024-09

2. Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights;ACS Nano;2024-08-27

3. Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states;The Journal of Chemical Physics;2024-08-09

4. Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus;Journal of the American Chemical Society;2024-07-08

5. Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene;Journal of Physics: Condensed Matter;2024-06-21