A5044413679- Catalytic Processes in Materials Science
- Electrocatalysts for Energy Conversion
- Advanced Chemical Physics Studies
- Luminescence Properties of Advanced Materials
- Perovskite Materials and Applications
- Gas Sensing Nanomaterials and Sensors
- Catalysis and Oxidation Reactions
- Advancements in Solid Oxide Fuel Cells
- Graphene research and applications
- Inorganic Chemistry and Materials
- Aluminum Alloys Composites Properties
- Intermetallics and Advanced Alloy Properties
- Electronic Packaging and Soldering Technologies
- Semiconductor materials and devices
- Electronic and Structural Properties of Oxides
- Advanced Battery Materials and Technologies
- Advanced Materials Characterization Techniques
- Advanced battery technologies research
- nanoparticles nucleation surface interactions
- Advanced Photocatalysis Techniques
- Boron and Carbon Nanomaterials Research
- Nuclear Materials and Properties
- Solid-state spectroscopy and crystallography
- ZnO doping and properties
- Copper-based nanomaterials and applications
Arizona State University
2025
State Key Laboratory of Nonferrous Metals and Processes
2016-2024
Grinm Advanced Materials (China)
2013-2024
General Research Institute for Nonferrous Metals (China)
2015-2024
Electric Power Research Institute
2018-2022
Southern Medical University
2019
Guangzhou Medical University
2013-2019
Beijing Administration Institute
2016-2018
Suzhou University of Science and Technology
2016
Zhejiang University of Technology
2015
Summary: Disease ontology (DO) annotates human genes in the context of disease. DO is important annotation translating molecular findings from high-throughput data to clinical relevance. DOSE an R package providing semantic similarity computations among terms and which allows biologists explore similarities diseases gene functions disease perspective. Enrichment analyses including hypergeometric model set enrichment analysis are also implemented support discovering associations biological...
Phylogenetic trees and data are often stored in incompatible inconsistent formats. The outputs of software tools that contain with analysis findings not compatible each other, making it hard to integrate the results different analyses a comparative study. treeio package is designed connect phylogenetic tree input output. It supports extracting as well commonly used analytical software. can link external phylogenies merge obtained from sources, enabling phylogeny-associated disciplines an...
The thermal instability of organic–inorganic halide perovskite solar cells (PSCs) is one the most important factors restraining their commercialization.
Abstract Lithium‐rich and manganese‐based oxide (LRMO) cathode materials are regarded as promising for lithium‐ion batteries with anionic redox characteristics higher specific energy density. However, the complex initial structure complicated reaction mechanism of LRMO is controversial. Herein, unusual electrochemical phenomena reconsidered after proposing concept distribution between Li 2 MnO 3 LiMO structures. The states show different types composition , including “large isolated...
Abstract As exciting candidates for next‐generation energy storage, all‐solid‐state lithium batteries (ASSLBs) are highly dependent on advanced solid‐state electrolytes (SSEs). Here, using cost‐effective LaCl 3 and CeCl lattice (UCl ‐type structure) as the host further combined with a multiple‐cation mixed strategy, we report series of UCl SSEs high room‐temperature ionic conductivities over 10 −3 S cm −1 good compatibility high‐voltage oxide cathodes. The intrinsic large‐size hexagonal...
The outstanding performance of cerium oxide $(\mathrm{Ce}{\mathrm{O}}_{2})$ as ion conductor or catalyst strongly depends on the ease $\mathrm{C}{\mathrm{e}}^{4+}\ensuremath{\leftrightarrow}\mathrm{C}{\mathrm{e}}^{3+}$ conversion and oxygen vacancy formation. An accurate description $\mathrm{C}{\mathrm{e}}^{3+}$ is therefore essential to further progress in this area. Using HSE06 hybrid functional, we investigate formation migration small polarons $(\mathrm{C}{\mathrm{e}}^{3+})$ their...
Abstract Single-atom catalysts are of great interest because they can maximize the atom-utilization efficiency and generate unique catalytic properties; however, much attention has been paid to single-site active components, rarely catalyst promoters. Promoters significantly affect activity selectivity a catalyst, even at their low concentrations in catalysts. In this work, we designed synthesized CuO with atomically dispersed co-promoters Sn Zn. When used as Rochow reaction for synthesis...
Abstract Super broadband near‐infrared (NIR) La 3 Ga 5 GeO 14 (LGGO): Cr 3+ phosphor is in urgent needs for food testing. Unfortunately, it suffers from poor luminescence intensity applications. Herein, the enhanced NIR performance can be realized LGGO: Pr , . The preferential crystallographic site of validated on basis EPR spectrum, Rietveld refinement, and first‐principles DFT calculations. It great importance that as‐prepared phosphors excited by blue light (460 nm), which beneficial to...
One of the key problems in studying alloy nanoparticle catalysis is their surface morphology and segregation behavior. We have developed an accurate embedded atom method (EAM) potential employed it simulation PdAu metal nanoparticles. The was parameterized based on extensive set density-functional-theory (DFT) calculations clusters addition to bulk-alloy properties. EAM accurately reproduces DFT energies both bulk alloys small utilized a Monte Carlo nanoparticles ranging from 55-atom...
Nitride La3Si6N11:Ce3+ is an important commercial phosphor for high-power white light-emitting diodes due to its strong resistance toward thermal quenching and sufficient emission efficiency. However, the underlying mechanisms of this high performance still a mystery. Also, properties Ce3+ in two kinds crystallographic sites are currently dispute. Here, we confirmed yellow ascribed CeLa(2) luminescence center proposed blue owning CeLa(1) through both theoretical experimental methods....
The surface composition of an alloying system has important impact on its catalytic and chemical properties.
Organic−inorganic metal halide ABX3 perovskite materials have stimulated great interest because of their superior photoelectronic properties and potential solar cell applications. However, the most widely used CH3NH3PbI3 suffers from its poor stability inclusion toxic lead. In order to screen candidate for applications, first-principles calculations been performed 90 organic-inorganic perovskites with A cation be one CH3NH3, CH3CH2NH3 CH2(NH2)2 molecules, B Cd, Cu, Ge, Mg, Ni, Pb, Sn, Ti, V...
Oxygen dissociation is one of the most critical steps in CO oxidation reaction on transition metal surfaces. It has been shown both experimentally and theoretically that oxygen clean platinum (Pt) surface proceeds via a precursor-mediated path, with negligible activation barrier. On other hand, pathway under diesel engine operating conditions, where packed molecules, understood less clearly. In this paper, we report density functional theory calculations for O2 Pt(111) presence varying...
Chemically modifying graphene (such as chemical doping) is a commonly used method to improve its formaldehyde sensing properties, but the microscopic mechanisms of heteroatoms in adsorption and process are still unclear. In this paper, properties on surfaces modified by X doping (X = B, N, O, P, S, Mg Al) were systematically investigated first-principles calculations. The geometries, energies, charge transfers, electronic structures obtained analyzed. strengths HCHO molecule Mg- Al-doped...
Rare earth oxyphosphates represent a large family of compounds with the general formula (RE 2 O 3 ) x (REPO 4 ), where RE refers to lanthanides and yttrium. At least four known stoichiometries have been established, each distinct structures. These potential applications as refractory coatings, catalysts, magnetic materials. We modeled stability PO 7 [RE (PO )O ] respect rare sesquioxides orthophosphates using DFT computations GGA-PBE r2SCAN exchange-correlation functionals. Phase predictions...
Lu3+, with the smallest ionic radii in lanthanide ions, is an important and beneficial cation for tuning spectrum shifting toward a longer wavelength by ion substitution many phosphors solid-state lighting. However, Lu3+-substituted garnet system, phosphor always has smaller lattice parameters exhibits shorter emission than other phosphors. The mechanism of such spectral blue shift induced Lu3+-codoped still unclear. In this study, local electronic structures Lu3+-undoped YAG:Ce3+ have been...