A5030963316- Luminescence Properties of Advanced Materials
- Perovskite Materials and Applications
- nanoparticles nucleation surface interactions
- Solid State Laser Technologies
- Glass properties and applications
- Advanced Chemical Physics Studies
- Microstructure and mechanical properties
- Advanced Photocatalysis Techniques
- Inorganic Fluorides and Related Compounds
- Advanced materials and composites
- Solid-state spectroscopy and crystallography
- Quantum Dots Synthesis And Properties
- Radiation Detection and Scintillator Technologies
- Catalytic Processes in Materials Science
- Gas Sensing Nanomaterials and Sensors
- Chalcogenide Semiconductor Thin Films
- Corrosion Behavior and Inhibition
- Ferroelectric and Piezoelectric Materials
- Nanoporous metals and alloys
- Metal and Thin Film Mechanics
- Luminescence and Fluorescent Materials
- Advanced Materials Characterization Techniques
- Multiferroics and related materials
- High-Temperature Coating Behaviors
- MXene and MAX Phase Materials
Hunan Agricultural University
2015-2024
Southwest University
2015-2024
China University of Petroleum, East China
2019-2024
Sun Yat-sen University
2024
Yancheng Teachers University
2024
Ministry of Ecology and Environment
2024
Chinese Academy of Sciences
2010-2023
Institute of Urban Environment
2023
Tongji University
2021
Chongqing University
2016-2020
Advances in perovskite solar cells require development of means to control and eliminate the nonradiative charge recombination pathway. Using ab initio nonadiabatic molecular dynamics, we demonstrate that perovskites is extremely sensitive state halogen vacancy. A missing iodine anion MAPbI3 has almost no effect on losses. However, when vacancy reduced, accelerated by up 2 orders magnitude. The acceleration occurs due formation a deep hole trap singly reduced vacancy, both shallow traps for...
Antimony (Sb) is regarded as an attractive anode material for sodium-ion batteries (SIBs) due to its high theoretical capacity of 660 mAh g-1. Combining Sb with carbonaceous materials has been considered effective way resolve the serious volume expansion issues. Sb/C composites mainly consist two types, that is, confined inside a carbon matrix and deposited on surface matrix, both have shown superior sodium storage performance. However, which structure more beneficial achieving...
Lead halide perovskites constitute a very promising class of materials for broad range solar and optoelectronic applications. Perovskites exhibit many unusual properties, recent experiments demonstrate an temperature dependence charge carrier lifetimes. Focusing on the all-inorganic CsPbBr3, using combination ab initio nonadiabatic molecular dynamics time-domain density functional theory, we that unconventional behavior arises because highly anharmonic nature atomic motions in perovskites....
Monte Carlo simulations were performed to study systematically the surface segregation behaviors and atomic-scale structural features of Au–Ag nanoparticles for a range alloy compositions, particle sizes, temperatures. Segregation Ag was observed in all particles considered. The promoted by increasing sizes or compositions decreasing nanoparticles' It found that most stable mixing patterns are onionlike structure with Ag-rich shell small particles, alloyed-core/layered-shell large particles....
Increased charge carrier lifetimes at elevated temperatures constitute an intriguing and valuable feature of hybrid organic–inorganic perovskites that are subject to heating in solar energy applications. We rationalize this peculiar behavior the atomistic level using real-time time-dependent density functional theory nonadiabatic molecular dynamics. Focusing on tetragonal MAPbI3, we demonstrate temperature has different effects organic inorganic subsystems leads subtle structural changes,...
This Perspective summarizes recent research into the excited-state dynamics in lead halide perovskites that are of paramount importance for photovoltaic and photocatalytic applications. Nonadiabatic molecular combined with time-domain ab initio density functional theory allows one to mimic time-resolved spectroscopy experiments at atomistic level detail. The focus is placed on realistic aspects perovskite materials, including point defects, surfaces, grain boundaries, mixed stoichiometries,...
Abstract Antimony is an attractive anode material for sodium‐ion batteries (SIBs) owing to its high theoretical capacity and appropriate sodiation potential. However, practical application severely impeded by poor cycling stability caused dramatic volumetric variations during sodium uptake release processes. Here, circumvent this obstacle, Sb@C@TiO 2 triple‐shell nanoboxes (TSNBs) are synthesized through a template‐engaged galvanic replacement approach. The TSNB structure consists of inner...
Lead halide perovskites have revolutionized the solar cell community. Further optimization of perovskite-based optoelectronic devices requires fundamental understanding their structure–property relationships. Recent experiments indicate that MAPbI3 and other lead exhibit an unusual pressure dependence photophysical properties. Typically, decreased band gaps are associated with shorter excited state lifetimes; however, show opposite trend. Moreover, narrower gap longer carrier lifetime...
Intrinsic defects in perovskite films strongly influence carrier dynamics by introducing nonradiative recombination centers, limiting the performance of solar cells. Extensive "trail-and-error" experimental efforts have been devoted to defect passivation, requiring fundamental understanding and rational guidance. Using state-of-the-art ab initio quantum simulations, we demonstrate suppression energy losses lead halide perovskites with introduction monovalent alkali ions. We show that doping...
Rapid urbanization considerably changes the urban–rural landscape, soil environment, and ecosystem functions. Within terrestrial ecosystems, microorganisms play key roles in functions are highly vulnerable to effects of rapid urbanization. However, research on changing environment along gradient composition, diversity, network structure microbial community remains limited. In this study, we analyzed land use pattern, human activities, properties bacterial urban, peri-urban, rural areas....