Search Results - "Yu, Tie"
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Simulating Crystal Structure, Acidity, Proton Distribution, and IR Spectra of Acid Zeolite HSAPO-34: A High Accuracy Study
Published in Molecules (Basel, Switzerland) (01-12-2023)“…It is a challenge to characterize the acid properties of microporous materials in either experiments or theory. This study presents the crystal structure, acid…”
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2
Review of borophene and its potential applications
Published in Frontiers of physics (01-06-2019)“…Since two-dimensional boron sheet (borophene) synthesized on Ag substrates in 2015, research on borophene has grown fast in the fields of condensed matter…”
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3
First-Principles Insight into the Impact of Oxygen Substitution in Na3V2(PO4)2F3 Cathodes on the Structural Evolution, Redox Mechanism, and Na-Ion Migration
Published in Journal of physical chemistry. C (11-01-2024)“…Sodium vanadium phosphate fluoride (Na3V2(PO4)2F3, NVPF) has emerged as a promising NASICON-type cathode material for sodium-ion batteries due to its 3D Na-ion…”
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4
New crystal structure prediction of fully hydrogenated borophene by first principles calculations
Published in Scientific reports (04-04-2017)“…New crystal structures of fully hydrogenated borophene (borophane) have been predicted by first principles calculation. Comparing with the chair-like borophane…”
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5
The influence of silicon on the catalytic properties of Cu/SAPO-34 for NOx reduction by ammonia-SCR
Published in Applied catalysis. B, Environmental (30-10-2012)“…[Display omitted] ► Cu/SAPO-34 performs excellent SCR activity and good hydrothermal stability. ► The contents of Si can directly affect the structure of…”
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6
Selective Synthesis of Benzene, Toluene, and Xylenes from Syngas
Published in ACS catalysis (02-07-2020)“…Although direct synthesis of aromatics from synthesis gas (syngas) using a bifunctional catalyst composed of metal oxide and zeolite (OX–ZEO) has attracted…”
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Exploring high-valence element doping in LLZO electrolytes: Effects on phase transition and lithium-ion conductivity
Published in Journal of power sources (30-08-2024)“…The increasing popularity of electric vehicles and the emergence of 5G technology have created a demand for high-energy-density and safe batteries. Among…”
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Effect of boron content on the electrochemical properties of layered Lix(ByC1-y)2 anodes with 5-, 6-, and 8-membered-ring structure
Published in Computational materials science (05-01-2024)“…[Display omitted] Using the crystal structure prediction combined with element substitution, several new layered Lix(ByC1-y)2 structures with 5-, 6-, and…”
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Recent NH3‑SCR Mechanism Research over Cu/SAPO-34 Catalyst
Published in Journal of physical chemistry. C (03-04-2014)“…The preliminary mechanism research of NH3-SCR and NH3 oxidation over Cu/SAPO-34 catalyst is explored. The XRD, SEM, in situ EPR, NH3-SCR, NH3 oxidation test,…”
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10
CWT-Based Magnetic Anomaly Data Denoising Method Combining Stochastic Resonance System and Pixel Connectivity Thresholding
Published in IEEE transactions on instrumentation and measurement (2024)“…Magnetic anomaly detection (MAD) serves as a method for detecting ferromagnetic objects via magnetic data. However, MAD typically confronts issues such as low…”
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11
NAC transcription factor ATAF1 negatively modulates the PIF‐regulated hypocotyl elongation under a short‐day photoperiod
Published in Plant, cell and environment (01-08-2024)“…Day length modulates hypocotyl elongation in seedlings to optimize their overall fitness. Variations in cell growth‐associated genes are regulated by several…”
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Cmc21-CdO: Emerging direct band gap semiconductor with ultrahigh mobility and enhanced visible-light optical absorptions
Published in Physica. B, Condensed matter (01-03-2023)“…In this paper, an unreported polymorph of cadmium oxide with a direct band gap (denoted as Cmc21-CdO) is proposed based on the adaptive genetic algorithm (AGA)…”
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13
The effect of zirconia additive on the activity and structure stability of V2O5/WO3-TiO2 ammonia SCR catalysts
Published in Applied catalysis. B, Environmental (11-08-2011)“…[Display omitted] ► ZrO2 improves thermal stability and activity of aged V2O5/WO3-TiO2 SCR catalyst. ► This durability results from diffusion barriers by ZrO2…”
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14
Inorganic Lead-Free B‑γ-CsSnI3 Perovskite Solar Cells Using Diverse Electron-Transporting Materials: A Simulation Study
Published in ACS omega (12-10-2021)“…B-γ-CsSnI3 perovskite solar cells (PSCs) are simulated employing diverse electron-transporting layers (ETLs, including TiO2, ZnO, SnO2, GaN, C60, and PCBM),…”
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15
Two‐step biological approach for treatment of rapeseed meal
Published in Journal of food science (01-02-2020)“…Rapeseed meal (RSM) is an important source of protein, but its value is limited due to the poor digestibility and the presence of many antinutritional factors…”
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The effect of various templates on the NH3-SCR activities over Cu/SAPO-34 catalysts
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01-05-2014)“…[Display omitted] •The TEA and TEAOH generate more strong Brønsted acid sites for Si islands.•The templates influence the distribution of Cu species in…”
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Degenerate Effect on the Mobility of Holes in Graphane: A Study Based on Density Functional Theory Coupled with Deformation Potential Theory
Published in Chemphyschem (05-10-2015)“…The traditional deformation potential method is not able to calculate the charge mobility of heavily doped degenerate semiconductors, in which inter‐band…”
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The relationship between physical exercise and smoking behavior among Chinese residents aged 16 years and older
Published in Scientific reports (20-03-2023)“…To explore the relationship between physical exercise and smoking behavior among Chinese residents aged 16 years and older. Analysis based on 29,466 validated…”
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Electronic structures, mechanical properties and carrier mobilities of π-conjugated X(X=Ni, Pd, Pt) bis(dithiolene) nanosheets: Theoretical predictions
Published in Computational materials science (01-01-2017)“…•The electronic structures and corrected band gaps of XDts have been predicted.•A method of calculating elastic modulus of 2D materials has been presented.•The…”
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Machine learning aided design of single-atom alloy catalysts for methane cracking
Published in Nature communications (18-07-2024)“…The process of CH 4 cracking into H 2 and carbon has gained wide attention for hydrogen production. However, traditional catalysis methods suffer rapid…”
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