A5050104292- Machine Learning in Materials Science
- ZnO doping and properties
- Perovskite Materials and Applications
- Ga2O3 and related materials
- Advancements in Battery Materials
- Semiconductor materials and interfaces
- Electronic and Structural Properties of Oxides
- Graphene research and applications
- Silicon and Solar Cell Technologies
- Quantum Dots Synthesis And Properties
- Advancements in Solid Oxide Fuel Cells
- Energy, Environment, Economic Growth
- Chalcogenide Semiconductor Thin Films
- Control Systems in Engineering
- Inorganic Chemistry and Materials
- Thin-Film Transistor Technologies
- Magnetic and transport properties of perovskites and related materials
- Multiferroics and related materials
- Smart Cities and Technologies
- Ferroelectric and Piezoelectric Materials
- Gas Sensing Nanomaterials and Sensors
- E-commerce and Technology Innovations
Hebei University
2023-2025
Dalian Jiaotong University
2015-2019
The photoelectric conversion efficiency (PCE) of perovskites remains beneath the Shockley-Queisser limit, despite its significant potential for solar cell applications. present focus is on investigating multicomponent perovskite candidates, particularly application machine learning to expedite band gap screening. To efficiently identify high-performance perovskites, we utilized a data set 1346 hybrid organic–inorganic and employed 11 models, including decision trees, convolutional neural...
Kesterite Cu
The digital economy based on the new generation of information technology has increasingly become an important driving force for economic development, and it is great practical significance to study evaluation development level economy. On basis summarizing connotation economy, index system firstly constructed from four dimensions infrastructure, industry, application innovation ability. Secondly, combination weighting method CRITIC-entropy used weight indicators. Thirdly, model grey...
Sn-based perovskites with different cations in the A-site exhibit distinct electronic structures and dynamic properties. By utilizing time-dependent density functional theory nonadiabatic molecular dynamics, we demonstrate that larger FA decrease wave function overlap between initial final states slow down nuclear motion. In case of FASnI3, this alteration decreases coupling increases nonradiative electron-hole recombination time by 130% 76%, respectively, compared to CsSnI3 MASnI3...
Pivotal enhancements in electronic minimization algorithms, which are vital for the advancement of computational materials science, introduced this research. Our research is dedicated to refining DIIS algorithm specifically structure calculations silicon (Si) and gallium arsenide (GaAs) solar cells, aiming enhance their efficiency stability. We have enriched by integrating a weight regularization factor, significantly bolstering its convergence This modification enhances iteration robustness...
The objective of machine unlearning (MU) is to eliminate previously learned data from a model. However, it challenging strike balance between computation cost and performance when using existing MU techniques. Taking inspiration the influence label smoothing on model confidence differential privacy, we propose simple gradient-based approach that uses an inverse process smoothing. This work introduces UGradSL, simple, plug-and-play smoothed labels. We provide theoretical analyses...
Based on the first-principles calculations, ferromagnetic origin and magnetic mechanisms of Li(Zn, Mn)N system were investigated. The systems with different concentrations moments carriers established. Compared Li16+y(Zn15Mn)N16 systems, Li16+y(Zn14Mn2)N16 are more stable. Different from Li15(Zn14Mn2)N16 system, Li16(Zn14Mn2)N16 Li18(Zn14Mn2)N16 anti-ferromagnetic semiconductors; state Li17(Zn14Mn2)N16 is preferred state. spin mostly originated Mn-3d states strongly hybridized N-2p Li-2s...
Crystal structure and electronic of YMnO 3 were investigated by X-ray diffraction transmission electron microscopy related techniques. According to the density states (DOS), individual interband transitions energy loss peaks in low spectrum assigned. The hybridization O 2p with Mn 3d Y 4d analyzed partial DOS was critical ferroelectric nature . From simulation near-edge structure, fine K-edge good agreement experimental spectrum. valence state (+3) determined a comparison between experiment...