

NEWS !
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2025.03.17
Our paper entitled 'Reactivity of Carbonyl-Containing Solid Polymer Electrolytes in Lithium–Metal Batteries from First-Principles Molecular Dynamics' was published in ACS Applied Polymer Materials
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2025.03.12
Our paper entitled 'Electronic structure engineering of nickel single-atom catalyst by phosphorous for efficient electrocatalytic CO2 reduction reaction in a proton-rich microenvironment' was published in Chemical Engineering Journal
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2025.03.12
Our paper entitled 'Radical chain reaction of methyltrichlorosilane with hydrogen and its role in chemical vapor deposition of stoichiometric SiC films' was published in Chemical Engineering Journal Advances
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2025.02.15
Our paper entitled 'Role of Surface Li Vacancies on the Moisture Stability of Li10SiP2S12 Solid Electrolyte: Insights from First-Principles Calculations' was published in Future Batteries
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2025.02.01
Our paper entitled 'Unveiling multi-component hybrid organic-inorganic SEI formation in gel polymer electrolytes: A computational study' was published in Electrochimica Acta
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2024.12.11
Our paper entitled 'Electrochemical formation of bis(fluorosulfonyl)imide-derived solid-electrolyte interphase at Li-metal potential' was published in Nature Chemistry
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2024.12.02
Our paper entitled 'Enhancing optical absorbance and accelerating rotational speed in molecular motors through oriented external electric fields' was published in The Journal of Chemical Physics
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2024.10.25
Our paper entitled 'Exploring complete catalytic cycle of methane oxidation to methanol on Cu2O2 stabilized within MIL-53(Al) framework: A combined DFT and microkinetic study' was published in Materials Today Catalysis
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2024.09.21
Our paper entitled 'First-Principles Molecular Dynamics Study on Reductive Stability of High Concentration Electrolyte on Zn doped Cu Current Collector Surface' was published in CHEMNANOMAT
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2024.09.20
Our paper entitled 'Assessing Ni2(dobpdc) Anchoring for Mitigating Lithium Polysulfide Dissolution in Lithium–Sulfur Batteries' was published in J. Phys. Chem. C
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2024.09.11
Our paper entitled 'Multifunctional Fluorinated Phosphonate-based Localized High Concentration Electrolytes for Safer and High-performance Lithium-based Batteries' was published in Energy Storage Mater.
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2024.09.05
Our paper entitled 'Unraveling the catalytic performance of RuO2(1 1 0) for highly-selective ethylene production from methane at low temperature: Insights from first-principles and microkinetic simulations' was published in Journal of Colloid and Interface Science
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2024.08.27
Our paper entitled 'Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance' was published in Mater. Today Phys.
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2024.05.28
Our paper entitled 'Rational Electrolytes Design for Li-Metal Batteries Operated Under Extreme Conditions: A Combined DFT, COSMO-RS, and Machine Learning Study' was published in J. Mater. Chem. A
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2024.05.16
Our paper entitled 'Small iridium clusters supported on TiO2 as catalysts for intensifying low-temperature methane activation and reforming' was published in Chem. Eng. J.
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2024.04.08
Our paper entitled 'Unveiling dendrite-suppressing potential of alkali metal-based alloys in lithium metal batteries' was published in J. Energy Storage
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2024.03.08
Our paper entitled 'Initial SEI formation in LiBOB-, LiDFOB- and LiBF4-containing PEO electrolytes' was published in J. Mater. Chem. A