A microscopic pathway for nonradiative electron-hole recombination by large structural reconfiguration in hydrogenated Si is found with first-principles calculations. Trapped-biexciton formation leads to a low-barrier reconfiguration of the H atom, accompanied by crossing of doubly occupied electron and hole levels in the band gap. This crossing represents the nonradiative recombination of the carriers, without multiphonon emission. The proposal provides a mechanism for carrier-induced H emission during metastable degradation of hydrogenated amorphous silicon.
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http://dx.doi.org/10.1103/PhysRevLett.84.967 | DOI Listing |
Nanomicro Lett
December 2024
The Key Laboratory for Special Functional Materials of MOE, School of Nanoscience and Materials Engineering, National and Local Joint Engineering Research Center for High-Efficiency Display and Lighting Technology, Collaborative Innovation Center of Nano Functional Materials and Applications, Henan University, Kaifeng, 475004, People's Republic of China.
J Phys Chem Lett
December 2024
College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing 100875, People's Republic of China.
Hybrid organic-inorganic perovskites exhibit significant nuclear quantum effects (NQEs) due to their light hydrogen atoms. By performing ring polymer molecular dynamics, ab initio molecular dynamics, and nonadiabatic molecular dynamics simulations on the MHyPbBr (MHy = CHNHNH) perovskites, we demonstrate that NQEs stabilize the lattice by suppressing atomic motions and accelerate nonradiative charge recombination. This stabilization arises from the synergistic effects of the Pb-N coordination bonds and N-H···Br hydrogen bonds, which enhance organic-inorganic interactions.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
November 2024
Key Laboratory of Automobile Materials, Ministry of Education, School of Materials Science and Engineering, Jilin University, 130022, Changchun, China.
While the emergence of PM6 : Y6 active layer re-energized the organic photovoltaic community, excessive aggregation of Y6 molecules induced by their strong intermolecular interactions has limited the performance of PM6 : Y6-based organic solar cells (OSCs). Adding 3D multi-arm small-molecule acceptors is an effective strategy to inhibit such aggregation. However, to maximize OSC efficiency, these molecules should also contribute to the electronic processes.
View Article and Find Full Text PDFACS Appl Bio Mater
December 2024
Department of Metallurgical and Materials Engineering, Karamanoglu Mehmetbey University, 70100 Karaman, Türkiye.
Waterborne infections caused by pathogenic microorganisms represent serious health risks for humans. Ternary zinc-tin oxide nanoparticles have great potential as a cost-effective, environmentally friendly, and efficient candidate for waterborne infections; however, their photocatalytic and antibacterial effects are quite limited due to insufficient visible light absorption and rapid electron-hole recombination. Herein, barium-doped zinc stannate (Ba@ZTO) nanoparticles were synthesized by the hydrothermal method and used for the first time not only as antibacterial agents to prevent the spread of the harmful bacteria and but also as photocatalysts to degrade the organic pollutant rhodamine B.
View Article and Find Full Text PDFAnal Chem
November 2024
College of Food Science and Engineering, Northwest A&F University, Yangling, Shaanxi 712100, People's Republic of China.
One of the most promising approaches to effectively modulate the performance of immunochromatography (ICA) is the rational design of nanomaterials. It is anticipated to facilitate highly sensitive ICA analysis by introducing and controlling the internal defect structures of nanomaterials. Herein, we designed BiS@AuNPs with deep-level defect properties, revealing that these deep defects act as electron-hole nonradiative complex centers to promote phonon production, ultimately leading to photothermal analytical performance in ICA.
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