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Articles by Run Long
Cavity-Reconstructed Exciton Relaxation and Charge Transfer in WS 2 /MoS 2 Junctions Click to copy article link Article link copied!
Cite Jump to ExpandCollapse ArticleMay 21, 2026 Cavity-Reconstructed Exciton Relaxation and Charge Transfer in WS2/MoS2 Junctions Click to copy article linkArticle link copied! Xuhui Xu Xuhui Xu College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing100875, P. R.
Dynamic lattice disorder overrides energetics for barrierless interfacial charge transfer in 2D hybrid perovskites
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Abstract INTRODUCTION RESULTS DISCUSSION MATERIALS AND METHODS Acknowledgments Supplementary Materials REFERENCES Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract Two-dimensional (2D) hybrid perovskites show promise in charge transfer (CT) applications, yet how their inherent dynamic lattice disorder redefines the CT dynamics remains unresolved.
By Xuhong Yang, David Anthony Verified, Dazhi Wang, Tianjing Li, haoran Lu, Ming Xia, Weijian Tao, Yao Zhang, Guohua He, Enzheng Shi, Run Long, Haiming Zhu
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Science Magazine
Verified
Origin of suppressed ferroelectricity in κ-Ga2O3: interplay between polarization and lattice domain walls - npj Computational Materials
Abstract Remanent polarization and coercive field in ferroelectrics are often predicted to be high, yet experimentally observed to be much lower-an inconsistency that hinders the rational design of functional materials and devices. We identify a hidden mechanism underlying this discrepancy: the interaction between polarization domain walls (PDWs) and lattice domain walls (LDWs) that standard models omit.
Perovskite heteroepitaxy for high-efficiency and stable pure-red LEDs - Nature
Abstract Ultrasmall CsPbI3 perovskite quantum dots (QDs) are the most promising candidates for realizing efficient and stable pure-red perovskite light-emitting diodes (PeLEDs)1,2,3,4,5. However, it is challenging for ultrasmall CsPbI3 QDs to retain their solution-phase properties when they assemble into conductive films, greatly hindering their device application3,6.
Enhancement of hole capture and water dissociation on rutile TiO2(110) by intermolecular hydrogen bonding: time-domain ab initio study
Enhancement of hole capture and water dissociation on rutile TiO2(110) by intermolecular hydrogen bonding: time-domain ab initio study Photocatalytic water splitting has been a focal point of research to solve the energy and environmental issues. However, the understanding of photocatalytic water splitting and coupled dynamics of photogenerated charge carriers at molecule/semiconductor interfaces is still limited.
Compression of Organic Molecules Coupled with Hydrogen Bonding Extends the Charge Carrier Lifetime in BA2SnI4
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2024, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Nonadiabatic Molecular Dynamics with Non-Condon Effect of Charge Carrier Dynamics
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2023, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Electron- versus Spin-Phonon Coupling Governs the Temperature-Dependent Carrier Dynamics in the Topological Insulator Bi2Te3
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc.
Electron- versus Spin-Phonon Coupling Governs the Temperature-Dependent Carrier Dynamics in the Topological Insulator Bi2Te3
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2023, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Twist Angle-Dependent Intervalley Charge Carrier Transfer and Recombination in Bilayer WS2
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2023, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Twist Angle-Dependent Intervalley Charge Carrier Transfer and Recombination in Bilayer WS2
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2023, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
Nuclear Quantum Effects Prolong Charge Carrier Lifetimes in Hybrid Organic-Inorganic Perovskites
Hybrid organic–inorganic perovskites (HOIPs) contain light hydrogen atoms that exhibit significant nuclear quantum effects (NQEs). We demonstrate that NQEs have a strong effect on HOIP geometry and electron–vibrational dynamics at both low and ambient temperatures, even though charges in HOIPs reside on heavy elements.
Twist Angle Can Expand Charge Carrier Diffusion Length in Bilayer Black Phosphorus: Ab Initio Quantum Dynamics
Twist Angle Can Expand Charge Carrier Diffusion Length in Bilayer Black Phosphorus: Ab Initio Quantum Dynamics Abstract Focusing on bilayer black phosphorus (BP) and performing nonadiabatic molecular dynamic (NA-MD) simulations, we demonstrate that appropriate twist angles can significantly improve the charge carrier lifetime and diffusion length. Interlayer coupling is determined by the interlayer distance rather than wavefunctions overlap between the two-layer BP.
Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells
Due to the attractive optoelectronic properties and extensive application in solar cells, the design of new helicene-type molecular semiconductors is of remarkable importance for development of high-efficiency hole-transporting materials (HTMs).
Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study
Exposure to oxygen undermines stability and charge transport in metal halide perovskites, because molecular oxygen, as well as photogenerated superoxide and peroxide, erodes the perovskite lattice and creates charge traps. We demonstrate that alkaline earth metals passivate the oxygen species in CH3NH3PbI3 by breaking the O–O bond and forming new bonds with the oxygen atoms, shifting the trap states of the antibonding O–O orbitals from inside the bandgap into the bands.
Twist Angle has Weak Influence on Charge Separation and Strong Influence on Recombination in MoS2/WS2 Bilayer: Ab Initio Quantum Dynamics
Twist Angle has Weak Influence on Charge Separation and Strong Influence on Recombination in MoS2/WS2 Bilayer: Ab Initio Quantum Dynamics Yonghao Zhu, Wei-hai Fang, Angel Rubio, Run Long and Oleg V Prezhdo Abstract Van der Waals heterojunctions of two-dimensional transition-metal dichalcogenides are intensely investigated for multiple optoelectronics applications. Strong and adjustable interactions between layers can influence charge and energy flow that govern material performance.
CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO2(110) Surface
1. Introduction Transition-metal oxides (TMOs) are receiving worldwide attention as one of the most promising classes of semiconductors for photoelectrochemical energy conversion. (1−4) Formation of electron polarons (EPs) in TMOs by excess electrons, introduced by intrinsic defects, (5,6) doping, (7,8) interstitials, (9,10) and light irradiation, (11) is an intrinsic and pervasive phenomenon that has strong impact on surface chemistry.
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