Search Results - "Shi, Si‐Qi"
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Antisite occupation induced single anionic redox chemistry and structural stabilization of layered sodium chromium sulfide
Published in Nature communications (18-09-2017)“…The intercalation compounds with various electrochemically active or inactive elements in the layered structure have been the subject of increasing interest…”
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Multi‐Layer Feature Selection Incorporating Weighted Score‐Based Expert Knowledge toward Modeling Materials with Targeted Properties
Published in Advanced theory and simulations (01-02-2020)“…Selecting proper descriptors or features is one of the central problems in exploring structure–activity relationships of materials using machine learning…”
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3
Carbon quantum dots-based semiconductor preparation methods, applications and mechanisms in environmental contamination
Published in Chinese chemical letters (01-10-2020)“…The preparations, effects and light environmental purification mechanisms of CQDs, CQDs-based photocatalysts were introduced in the article. [Display omitted]…”
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4
Effects of different agricultural treatments on narrowing winter wheat yield gap and nitrogen use efficiency in China
Published in Journal of Integrative Agriculture (01-02-2021)“…Under the limited cultivated land area and the pursuit of sustainable agricultural development, it is essential for the safety of grain production to study…”
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5
Rotational motion of polyanion versus volume effect associated with ionic conductivity of several solid electrolytes
Published in Rare metals (01-06-2018)“…Volume effect has been extensively investigated in several families of solid electrolytes, i.e., expanding the skeleton lattice by bigger-size substitution…”
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A Novel Small-Molecule Compound of Lithium Iodine and 3‑Hydroxypropionitride as a Solid-State Electrolyte for Lithium–Air Batteries
Published in Inorganic chemistry (05-07-2016)“…A novel small-molecule compound of lithium iodine and 3-hydroxypropionitrile (HPN) has been successfully synthesized. Our combined experimental and theoretical…”
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7
In Situ Formed Shields Enabling Li2CO3‑Free Solid Electrolytes: A New Route to Uncover the Intrinsic Lithiophilicity of Garnet Electrolytes for Dendrite-Free Li-Metal Batteries
Published in ACS applied materials & interfaces (09-01-2019)“…Introduction of inorganic solid electrolytes is believed to be an ultimate strategy to dismiss dendritic Li in high-energy Li-metal batteries (LMBs), and…”
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8
In Situ Formed Shields Enabling Li 2 CO 3 -Free Solid Electrolytes: A New Route to Uncover the Intrinsic Lithiophilicity of Garnet Electrolytes for Dendrite-Free Li-Metal Batteries
Published in ACS applied materials & interfaces (09-01-2019)“…Introduction of inorganic solid electrolytes is believed to be an ultimate strategy to dismiss dendritic Li in high-energy Li-metal batteries (LMBs), and…”
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9
Attenuation effects of ZVI/PDS pretreatment on propagation of antibiotic resistance genes in bioreactors: Driven by antibiotic residues and sulfate assimilation
Published in Journal of hazardous materials (05-10-2023)“…Sulfate radical-based advanced oxidation processes (AOPs) combined biological system was a promising technology for treating antibiotic wastewater. However,…”
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10
Machine learning approaches to predict the apparent rate constants for aqueous organic compounds by ferrate
Published in Journal of environmental management (01-03-2023)“…The apparent second-order rate constant with hexavalent ferrate (Fe(VI)) (kFe(VI)) is a key indicator to evaluate the removal efficiency of a molecule by…”
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11
CO Adsorption on a LaNi5 Hydrogen Storage Alloy Surface: A Theoretical Investigation
Published in Chemphyschem (04-08-2008)“…Density functional theory calculations are carried out to study CO adsorption on the (001) surface of a LaNi5 hydrogen storage alloy. At low coverages, CO…”
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12
Dehydrogenation Reaction for NaOH System: A First-Principles Study
Published in Chemphyschem (17-09-2007)“…The crystal structures, electronic, dielectric, and vibrational properties of NaH, Na2O and NaOH are systematically investigated by first‐principles…”
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13
Comparison of Morphology Characterization for Regular Cracks with Multi-mode Total Focusing Method
Published in 2019 Far East NDT New Technology & Application Forum (FENDT) (01-06-2019)“…The multi-mode total focusing method (MTFM) is used for characterization of crack morphology, whose imaging quality is closely related to crack orientation. In…”
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Conference Proceeding -
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Domain knowledge discovery from abstracts of scientific literature on Nickel-based single crystal superalloys
Published in Science China. Technological sciences (01-06-2023)“…Despite the huge accumulation of scientific literature, it is inefficient and laborious to manually search it for useful information to investigate…”
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15
Boron Substituted Na3V2(P1−xBxO4)3 Cathode Materials with Enhanced Performance for Sodium‐Ion Batteries
Published in Advanced science (01-12-2016)“…The development of excellent performance of Na‐ion batteries remains great challenge owing to the poor stability and sluggish kinetics of cathode materials…”
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16
Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe2(MoO4)3
Published in Scientific reports (06-03-2015)“…The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well…”
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Antisite occupation induced single anionic redox chemistry and structural stabilization of layered sodium chromium sulfide
Published in Nature communications (18-09-2017)Get full text
Journal Article -
19
Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe2(MoO4)3
Published 18-12-2015“…The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well…”
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Journal Article -
20
Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)
Published in Scientific reports (06-03-2015)“…The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well…”
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Journal Article